3,4'-Dichlorodiphenyl Ether - C12H8Cl2O - CID 81283 - PubChem

COMPOUND SUMMARY
3,4'-Dichlorodiphenyl ether
PubChem CID 81283
Structure
2D 3D
Chemical Safety
Irritant Environmental Hazard
Laboratory Chemical Safety Summary (LCSS) Datasheet
Molecular Formula C12H8Cl2O
Synonyms 3,4'-Dichlorodiphenyl ether

6842-62-2
1-chloro-3-(4-chlorophenoxy)benzene
3,4'-Dichlorodiphenylether
PCDE 13
View More...
Molecular Weight 239.09 g/mol

Computed by PubChem 2.1 (PubChem release 2021.05.07)
Dates Create: Modify:

2005-08-08 2023-12-02
Contents
Title and Summary
1 Structures
2 Names and Identifiers
3 Chemical and Physical Properties
4 Spectral Information
5 Related Records
6 Chemical Vendors
7 Safety and Hazards
8 Literature
9 Patents
10 Classification
11 Information Sources
1 Structures
1.1 2D Structure
Chemical Structure
Depiction
PubChem
1.2 3D Conformer
Interactive Chemical Structure Model
Ball and Stick Sticks Wire-Frame Space-Filling
Show Hydrogens Animate
First Previous Conformer 1 of 6 Next Last
PubChem
2 Names and Identifiers
2.1 Computed Descriptors
2.1.1 IUPAC Name
1-chloro-3-(4-chlorophenoxy)benzene
Computed by Lexichem TK 2.7.0 (PubChem release 2021.05.07)
PubChem
2.1.2 InChI
InChI=1S/C12H8Cl2O/c13-9-4-6-11(7-5-9)15-12-3-1-2-10(14)8-12/h1-8H
Computed by InChI 1.0.6 (PubChem release 2021.05.07)
PubChem
2.1.3 InChIKey
HPRGYUWRGCTBAV-UHFFFAOYSA-N
Computed by InChI 1.0.6 (PubChem release 2021.05.07)
PubChem
2.1.4 Canonical SMILES
C1=CC(=CC(=C1)Cl)OC2=CC=C(C=C2)Cl
Computed by OEChem 2.3.0 (PubChem release 2021.05.07)
PubChem
2.2 Molecular Formula

C12H8Cl2O
Computed by PubChem 2.1 (PubChem release 2021.05.07)
PubChem
2.3 Other Identifiers
2.3.1 CAS
6842-62-2
CAS Common Chemistry; ChemIDplus; EPA DSSTox; European Chemicals Agency (ECHA); FDA …
51289-10-2
ChemIDplus
2.3.2 European Community (EC) Number
614-477-3
European Chemicals Agency (ECHA)
2.3.3 UNII
IH41RTF1MQ
FDA Global Substance Registration System (GSRS)
2.3.4 DSSTox Substance ID
DTXSID60871935
EPA DSSTox
2.3.5 Nikkaji Number
J151.897F
Japan Chemical Substance Dictionary (Nikkaji)
2.3.6 Wikidata
Q27280723
Wikidata
2.4 Synonyms
2.4.1 Depositor-Supplied Synonyms

3,4'-Dichlorodiphenyl ether 51289-10-2 AKOS015914747
6842-62-2 1-chloro-3-(4-chlorophenoxy) benzene DS-0788
1-chloro-3-(4-chlorophenoxy)benzene 1-Chloro-3-(4-chlorophenoxy)-benzene SY047655
3,4'-Dichlorodiphenylether EC 614-477-3 CS-0156878
PCDE 13 3,4'-oxybis(chlorobenzene) FT-0614250
Benzene, 1-chloro-3-(4-chlorophenoxy)- 3,4`-Dichlorodiphenyl ether Q27280723
MFCD00043876 3,4'-Dichloro Diphenyl Ether Benzene, 1-chlor
IH41RTF1MQ SCHEMBL3716891 Dichlorodipheny
Benzene, 1,1'-oxobis(chloro- DTXSID60871935
UNII-IH41RTF1MQ HPRGYUWRGCTBAV-UHFFFAOYSA-N
PubChem
3 Chemical and Physical Properties
3.1 Computed Properties
Property Name Property Value Reference
Computed by PubChem 2.1 (PubChem release

Molecular Weight 239.09 g/mol
2021.05.07)
Computed by XLogP3 3.0 (PubChem release

XLogP3 5.2
2021.05.07)
Computed by Cactvs 3.4.8.18 (PubChem release

Hydrogen Bond Donor Count 0
2021.05.07)
Hydrogen Bond Acceptor Computed by Cactvs 3.4.8.18 (PubChem release

1
Count 2021.05.07)

Rotatable Bond Count 2
2021.05.07)
237.9952203 Computed by PubChem 2.1 (PubChem release

Exact Mass
g/mol 2021.05.07)
237.9952203 Computed by PubChem 2.1 (PubChem release

Monoisotopic Mass
g/mol 2021.05.07)

Topological Polar Surface Area 9.2Å²
2021.05.07)
Heavy Atom Count 15 Computed by PubChem
Formal Charge 0 Computed by PubChem

Complexity 190
2021.05.07)
Isotope Atom Count 0 Computed by PubChem
Defined Atom Stereocenter

0 Computed by PubChem
Count
Undefined Atom Stereocenter

Count
Defined Bond Stereocenter

Count
Undefined Bond Stereocenter

Count
Covalently-Bonded Unit Count 1 Computed by PubChem
Compound Is Canonicalized Yes Computed by PubChem (release 2021.05.07)
PubChem
3.2 SpringerMaterials Properties
13C nuclear magnetic resonance spectrum

Chemical shift
Spin-spin coupling constant
SpringerMaterials
4 Spectral Information
4.1 1D NMR Spectra
4.1.1 13C NMR Spectra
1 of 2
Copyright Copyright © 2016-2023 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All
Rights Reserved.
Thumbnail
SpectraBase
2 of 2
Instrument Name JEOL GSX-270
Copyright Copyright © 2002-2023 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights
Reserved.
Thumbnail
SpectraBase
5 Related Records
5.1 Related Compounds with Annotation

18,644 items
Search SORT BY Neighbor Type - A to Z
Bithionate sodium; NCGC00178909-01; AB00053425_02

Compound CID: 2407
Neighbor Type: 2D+3D Annotation Types Count: 5
mitotane; 53-19-0; Mitotan; Lysodren; o,p'-DDD; ...

Compound CID: 4211
triclosan; 3380-34-5; 5-CHLORO-2-(2,4-DICHLOROPHENOXY)PHENOL;

Cloxifenolum; Irgasan; ...
Compound CID: 5564
GLYOXAL, (p-PHENOXYPHENYL)-; 70-97-3; 4I5SNZ6LNJ; NSC-89023; (p-

Phenoxyphenyl)glyoxal; ...
Compound CID: 6273
p,p'-DDD; 72-54-8; Rhothane; Dilene; Dichlorodiphenyldichloroethane; ...

Compound CID: 6294
First Previous Page 1 of 3,729 Next Last
PubChem
5.2 Related Compounds
Similar Compounds
249
Count
Similar Conformers
18695
Count
PubChem
5.3 Substances
5.3.1 Related Substances
Same Count 112
PubChem
5.3.2 Substances by Category
7 categories
Chemical Vendors (55)
Curation Efforts (8)
Governmental Organizations (6)
Journal Publishers (2)
Research and Development (9)
Subscription Services (1)
Legacy Depositors (41)
PubChem
6 Chemical Vendors
47 vendors
eNovation Chemicals
PubChem SID: 441395255 Purchasable Chemical: Y1044038
MolCore BioPharmatech
PubChem SID: 277298702 Purchasable Chemical: CS21931
PubChem SID: 446147281 Purchasable Chemical: NO21931
AA BLOCKS
PubChem SID: 381943660 Purchasable Chemical: AA0039DK
Win-Win Chemical
PubChem SID: 438502683 Purchasable Chemical: 10543
RR Scientific
PubChem SID: 472542384 Purchasable Chemical: R085755
PubChem SID: 472720494 Purchasable Chemical: R226619
AstaTech, Inc.
abcr GmbH
PubChem SID: 316487045 Purchasable Chemical: AB276073
J&H Chemical Co.,ltd

PubChem SID: 468854509 Purchasable Chemical: JH317958
001Chemical
PubChem SID: 375785271 Purchasable Chemical: NO21931
Chemenu Inc.
PubChem SID: 443478262 Purchasable Chemical: CM254515
Combi-Blocks
PubChem SID: 374017468 Purchasable Chemical: OR-2369
Key Organics/BIONET
PubChem SID: 249739770 Purchasable Chemical: DS-0788
Cooke Chemical Co., Ltd

PubChem SID: 481122898 Purchasable Chemical: BD1329032
Thoreauchem
PubChem SID: 478167923 Purchasable Chemical: TH-D24769
THE BioTek
PubChem SID: 439643026 Purchasable Chemical: bt-461282
Accela ChemBio Inc.

PubChem SID: 381140817 Purchasable Chemical: SY047655
A2B Chem
PubChem SID: 444176893 Purchasable Chemical: AB52020
Clearsynth
PubChem SID: 387199844 Purchasable Chemical: CS-AC-12215
LGC Standards
PubChem SID: 340519674 Purchasable Chemical: MM0610.01
Aaron Chemicals LLC

PubChem SID: 406555609 Purchasable Chemical: AR003A5C
Finetech Industry Limited

PubChem SID: 164799403 Purchasable Chemical: FT-0614250
Oakwood Products
Starshine Chemical
PubChem SID: 464765489 Purchasable Chemical: starbld0600187
AEchem Scientific Corp., USA

PubChem SID: 252311855 Purchasable Chemical: AE1-012302
BOC Sciences
PubChem SID: 254788658 Purchasable Chemical: 6842-62-2
Chem-Space.com Database
PubChem SID: 434568443 Purchasable Chemical: CSSB00009991477
Yick-Vic Chemicals & Pharmaceuticals (HK) Ltd.

PubChem SID: 459143949 Purchasable Chemical: MIS-5111
MolPort
PubChem SID: 91747289 Purchasable Chemical: MolPort-003-984-554
KCS Online
PubChem SID: 478852288 Purchasable Chemical: KCS-8639
Ambinter
PubChem SID: 367383762 Purchasable Chemical: Amb15692410
CymitQuimica
PubChem SID: 470689991 Purchasable Chemical: CQ_6842-62-2
Achemo Scientific Limited

PubChem SID: 378142432 Purchasable Chemical: AC-111718
PubChem SID: 254811307 Purchasable Chemical: AC-27643
AKos Consulting & Solutions

PubChem SID: 152054166 Purchasable Chemical: AKOS015914747
BLD Pharm
PubChem SID: 375554852 Purchasable Chemical: BD81765
AbaChemScene
PubChem SID: 463582405 Purchasable Chemical: CS-0156878
Smolecule
PubChem SID: 440772576 Purchasable Chemical: S704276
EvitaChem
PubChem SID: 485164226 Purchasable Chemical: evt-7939348
Sinfoo Biotech
PubChem SID: 404803838 Purchasable Chemical: S025308
BenchChem
PubChem SID: 446420336 Purchasable Chemical: B1293640
Alfa Chemistry
PubChem SID: 472911802 Purchasable Chemical: ACM6842622
PubChem SID: 472835288 Purchasable Chemical: APS6842622
DSL Chemicals
PubChem SID: 478111666 Purchasable Chemical: C015786
3WAY PHARM INC

PubChem SID: 438600739 Purchasable Chemical: SWOT-11144
Achemtek
PubChem SID: 381359822 Purchasable Chemical: 0104-015069
Ambeed
PubChem SID: 376152195 Purchasable Chemical: A149536
3B Scientific (Wuhan) Corp

PubChem SID: 375194841 Purchasable Chemical: 3B3-026424
Matrix Scientific
Activate Scientific
PubChem SID: 340546375 Purchasable Chemical: AS32173
PubChem
7 Safety and Hazards
7.1 Hazards Identification
7.1.1 GHS Classification
Pictogram(s)
Irritant Environmental Hazard
Signal Warning
GHS Hazard H302 (37.62%): Harmful if swallowed [Warning Acute toxicity, oral]
Statements H315 (37.62%): Causes skin irritation [Warning Skin corrosion/irritation]
H400 (99.01%): Very toxic to aquatic life [Warning Hazardous to the aquatic
environment, acute hazard]
H410 (100%): Very toxic to aquatic life with long lasting effects [Warning
Hazardous to the aquatic environment, long-term hazard]
Precautionary P264, P270, P273, P280, P301+P317, P302+P352, P321, P330, P332+P317,
Statement Codes P362+P364, P391, and P501
(The corresponding statement to each P-code can be found at the GHS
Classification page.)
ECHA C&L Aggregated GHS information provided by 101 companies from 3 notifications
Notifications to the ECHA C&L Inventory. Each notification may be associated with
Summary multiple companies.
Information may vary between notifications depending on impurities,
additives, and other factors. The percentage value in parenthesis indicates the
notified classification ratio from companies that provide hazard codes. Only
hazard codes with percentage values above 10% are shown.
7.1.2 Hazard Classes and Categories
Acute Tox. 4 (37.62%)

Skin Irrit. 2 (37.62%)
Aquatic Acute 1 (99.01%)
Aquatic Chronic 1 (100%)
8 Literature
8.1 Consolidated References
2 items
Development of an Enzyme-Linked Immunosorbent Assay for the Detection of Difenoconazole

Residues in Fruits and Vegetables
Publication Name: Food Analytical Methods
Publication Date: 2017-07-21
DOI: 10.1007/s12161-017-0983-2
PBT borderline chemicals under REACH

Publication Name: Environmental Sciences Europe
Publication Date: 2013-05-04
DOI: 10.1186/2190-4715-25-11
PubChem
8.2 Springer Nature References
2 items
Development of an Enzyme-Linked Immunosorbent Assay for the Detection of

Difenoconazole Residues in Fruits and Vegetables
Publication Date: 2017
Publication Name: Food Analytical Methods
PBT borderline chemicals under REACH

Publication Date: 2013
Publication Name: Environmental Sciences Europe
Springer Nature
8.3 Chemical Co-Occurrences in Literature
Showing 3 of 3 View More
Chemical Selected evidence
1 article View All
Comparison of toxicological effects and exposure levels

between triclosan and its structurally similar chemicals using in
vitro tests for read-across case study
5-Chloro-2-(4- PMID 35526779; DOI 10.1016/j.yrtph.2022.105181; Regulatory toxicology
chlorophenoxy)phenol and pharmacology : RTP 2022 Jul; 132(?):105181
Name matches: diclosan 1-chloro-3-(4-chlorophenoxy)benzene
CID 18807
1 article View All

PMID 35526779; DOI 10.1016/j.yrtph.2022.105181; Regulatory toxicology
Triclosan
and pharmacology : RTP 2022 Jul; 132(?):105181
CID 5564 Name matches: triclosan 1-chloro-3-(4-chlorophenoxy)benzene
1 article View All

Cholesterol
CID 5997 Name matches: cholesterol 1-chloro-3-(4-chlorophenoxy)benzene
PubChem
8.4 Chemical-Disease Co-Occurrences in Literature
Disease Selected evidence
1 article View All

Chemical and Drug Induced between triclosan and its structurally similar chemicals using in
Liver Injury vitro tests for read-across case study
Name matches: hepatotoxicity 1-chloro-3-(4-chlorophenoxy)benzene
1 article View All

Drug-Related Side Effects and between triclosan and its structurally similar chemicals using in
Adverse Reactions vitro tests for read-across case study
Name matches: toxicity 1-chloro-3-(4-chlorophenoxy)benzene
PubChem
9 Patents
9.1 Depositor-Supplied Patent Identifiers
141 items
Search SORT BY Priority Date - Most Recent
Synthetic method of 3, 4' -dichlorodiphenyl ether

Publication Number: CN-113636917-A
Priority Date: 2021-08-10
Preparation method of triazole compound containing dioxolane and intermediate thereof

Publication Number: CN-113336715-B
Priority Date: 2021-08-04 Grant Date: 2021-11-23
A three-in-one device for industrial salt decolorization

Publication Number: CN-216756397-U
A kind of method for preparing 3,4'-dichlorodiphenyl ether from difenoconazole isomers

Publication Number: CN-112707799-A
Priority Date: 2020-12-28
Synthetic method of high-purity difenoconazole

Publication Number: CN-112300137-B
First Previous Page 1 of 29 Next Last
PubChem
Link to all deposited patent identifiers

PubChem
9.2 WIPO PATENTSCOPE

Patents are available for this chemical structure:
https://patentscope.wipo.int/search/en/result.jsf?inchikey=HPRGYUWRGCTBAV-
UHFFFAOYSA-N
PATENTSCOPE (WIPO)
9.3 Chemical Co-Occurrences in Patents
Chemical Selected evidence

3 patents from 3 patent families View All
Process for preparing 3,4'-dichlorodiphenyl-ether

EP-0431487-B1; Grant Date: 1994-10-26
Process for preparing chlorinated diphenyl ether

KR-960006254-B1; Grant Date: 1996-05-13
1,3-Dichlorobenzene
CID 10943 Process for the preparation of chlorinated diphenyl ether
EP-0401626-B1; Grant Date: 1994-01-19
1 patent from 1 patent family View All

EP-0431487-B1; Grant Date: 1994-10-26
Basic cupric carbonate
CID 25503
2 patents from 2 patent families View All

EP-0431487-B1; Grant Date: 1994-10-26
4-Chlorophenol Process for the preparation of chlorinated diphenyl ether

EP-0401626-B1; Grant Date: 1994-01-19
CID 4684
PubChem
10 Classification
10.1 ChemIDplus
9 items View in Classification Browser
ChemIDplus Chemical Information Classification NLM Resources (File Locators)

DrugPortal
Drug Information Portal - Portal to selected drug information from the U.S. National Library of Medicine and other
key U.S. Government agencies
ChemIDplus Chemical Information Classification Other Resources (Internet Locators)

ECHA

EPA CompTox

IUCLID
International Uniform Chemical Information Database - Data extracts from the IUCLID (International Uniform
ChemicaL Information Database) on High Production Volume Chemicals reported by European industry
ChemIDplus Chemical Information Classification NLM Resources (File Locators)

PubChem
ChemIDplus
10.2 UN GHS Classification
GHS Classification Tree Hazard Statement Codes H300: Health Hazards

H302: Harmful if swallowed [Warning Acute toxicity, oral]
GHS Classification Tree Hazard Statement Codes H300: Health Hazards

H315: Causes skin irritation [Warning Skin corrosion/irritation]
GHS Classification Tree Hazard Statement Codes H400: Environmental Hazards

H400: Very toxic to aquatic life [Warning Hazardous to the aquatic
environment, acute hazard]
GHS Classification Tree Hazard Statement Codes H400: Environmental Hazards

H410: Very toxic to aquatic life with long lasting effects [Warning
Hazardous to the aquatic environment, long-term hazard]
GHS Classification Tree Hazard Classes Health Hazards

Acute toxicity, oral
UN Globally Harmonized System of Classification and Labelling of Chemicals (GHS)
10.3 NORMAN Suspect List Exchange Classification
NORMAN Suspect List Exchange Classification

S33 | SOLUTIONSMLOS | Chemicals used for modelling in the SOLUTIONS project
SOLUTIONSMLOS contains the chemicals used for modelling in the SOLUTIONS project (www.solutions-
project.eu/), provided by Jaroslav Slobodnik (EI). Dataset DOI:10.5281/zenodo.2653022
S71 | CECSCREEN | HBM4EU CECscreen: Screening List for Chemicals of Emerging Concern
HBM4EU CECscreen is a suspect screening list for Chemicals of Emerging Concern (CECs) plus metadata and
predicted Phase 1 metabolites; this list contains the CECs only. CECScreen is part of the HBM4EU project (coord.
UBA) > WP16 emerging chemicals (lead INRA, JP Antignac/L Debrauwer) > Task 16.1 (lead IRAS, J Vlanderen / R
Vermeulen) > Main contributor (J Meijer) > Involved Partners (M Lamoree, T Hamers, S Hutinet, A, Covaci, C Huber,
M Krauss, DI Walker, EL Schymanski). Further details in Meijer et al (2021) DOI:10.1016/j.envint.2021.106511. Dataset
DOI:10.5281/zenodo.3956586

S00 | SUSDAT | Merged NORMAN Suspect List: SusDat
A merged list of >100,000 structures from the NORMAN Network Suspect List Exchange, available from
https://www.norman-network.com/nds/susdat/. Compiled by Reza Aalizadeh, University of Athens, including RTI
and toxicity values, support by Nikiforos Alygizakis, EI. Hazard and Exposure values provided by Stellan Fischer,
KEMI. Dataset DOI:10.5281/zenodo.2664077

S02 | STOFFIDENT | HSWT/LfU STOFF-IDENT Database of Water-Relevant Substances
Th STOFF IDENT d b bl h hf f k li d h i
NORMAN Suspect List Exchange
10.4 EPA DSSTox Classification
CompTox Chemicals Dashboard Chemical Lists ARTICLE

[CERAPP] ARTICLE: Collaborative Estrogen Receptor Activity Prediction Project (CERAPP)
Short_Description: CERAPP uses predictive computational models trained on HTS data to evaluate thousands of
chemicals for ER-related activity.
Long_Description: CERAPP (Collaborative Estrogen Receptor Activity Prediction Project) is a large-scale modeling
project demonstrate the efficacy of using predictive computational models trained on high-throughput screening
data to evaluate thousands of chemicals for ER-related activity and prioritize them for further testing. CERAPP
combined multiple models developed in collaboration with 17 groups in the United States and Europe to predict ER
activity of a common set of 32,464 chemical structures. Quantitative structure-activity relationship models and
docking approaches were employed, mostly using a common training set of 1,677 chemical structures provided by
the U.S. EPA, to build a total of 40 categorical and 8 continuous models for binding, agonist, and antagonist ER
activity. All predictions were evaluated on a set of 7,522 chemicals curated from the literature. To overcome the
limitations of single models, a consensus was built by weighting models on scores based on their evaluated
accuracies. The work is described in this peer-reviewed publication:
https://ehp.niehs.nih.gov/doi/10.1289/ehp.1510267
CompTox Chemicals Dashboard Chemical Lists ARTICLE

[COMPARA] ARTICLE: Collaborative Estrogen Receptor Activity Prediction Project (COMPARA)
Short_Description: COMPARA: A list related to the publication (in review), the"Collaborative Modeling Project for
Androgen Receptor Activity (CoMPARA)"which follows on from the Collaborative Estrogen Receptor Activity
Prediction Project (CERAPP)
Long_Description: In support of the Endocrine Disruptor Screening Program, the U.S. Environmental Protection
Agency (EPA) led two worldwide consortiums to "virtually" (i.e., in silico) screen chemicals for their potential
estrogenic and androgenic activities. A publication (in review) the"Collaborative Modeling Project for Androgen
Receptor Activity (CoMPARA)"efforts, which follows the steps of the Collaborative Estrogen Receptor Activity
Prediction Project (CERAPP). This CoMPARA list of screened chemicals built upon 32,464 chemicals to include
additional lists of interest, as well as simulated ToxCast metabolites, totaling over 55,000 chemical structures.
CompTox Chemicals Dashboard Chemical Lists NORMAN

[SOLUTIONSMLOS] NORMAN: Chemicals used for Modelling in the SOLUTIONS Project
Short_Description: List containing the 6462 chemicals used for modelling in the SOLUTIONS project.
Long_Description: List containing the 6462 chemicals used for modelling in the SOLUTIONS project, provided by
Jaroslav Slobodnik (EI). This list is the subset available on the Dashboard mapped by InChIKey; original file on the
NORMAN Suspect List Exchange.
CompTox Chemicals Dashboard Chemical Lists LIST

[SUSDAT] NORMAN: Norman Network Suspect Screening List (SUSDAT)
Short_Description: Merged NORMAN Suspect List "SusDat" from the NORMAN Suspect Exchange.
Long_Description: NORMAN SusDat is a merged Suspect List containing all (mapped) entries listed on the
NORMAN Suspect Exchange (http://www.norman-network.com/?q=node/236), including all individual NORMAN
lists here. This list is undergoing continuous expansion and curation. For more information refer to the NORMAN
website. Compiled by E. Schymanski, R. Aalizadeh, N. Alygizakis, A.J. Williams and more. UPDATED 06/21/2020
CompTox Chemicals Dashboard Chemical Lists EPA
EPA DSSTox
11 Information Sources
FILTER BY SOURCE
ALL SOURCES
1. CAS Common Chemistry

LICENSE
The data from CAS Common Chemistry is provided under a CC-BY-NC 4.0 license, unless otherwise stated.
https://creativecommons.org/licenses/by-nc/4.0/
3,4′-Dichlorodiphenyl ether
https://commonchemistry.cas.org/detail?cas_rn=6842-62-2
2. ChemIDplus
LICENSE
https://www.nlm.nih.gov/copyright.html
https://pubchem.ncbi.nlm.nih.gov/substance/?source=chemidplus&sourceid=0006842622
Benzene, 1,1'-oxobis(chloro-
https://pubchem.ncbi.nlm.nih.gov/substance/?source=chemidplus&sourceid=0051289102
ChemIDplus Chemical Information Classification

https://pubchem.ncbi.nlm.nih.gov/source/ChemIDplus
3. EPA DSSTox
LICENSE
https://www.epa.gov/privacy/privacy-act-laws-policies-and-resources
https://comptox.epa.gov/dashboard/DTXSID60871935
CompTox Chemicals Dashboard Chemical Lists

https://comptox.epa.gov/dashboard/chemical-lists/
4. European Chemicals Agency (ECHA)

LICENSE
Use of the information, documents and data from the ECHA website is subject to the terms and conditions of this
Legal Notice, and subject to other binding limitations provided for under applicable law, the information,
documents and data made available on the ECHA website may be reproduced, distributed and/or used, totally or
in part, for non-commercial purposes provided that ECHA is acknowledged as the source: "Source: European
Chemicals Agency, http://echa.europa.eu/". Such acknowledgement must be included in each copy of the
material. ECHA permits and encourages organisations and individuals to create links to the ECHA website under
the following cumulative conditions: Links can only be made to webpages that provide a link to the Legal Notice
page.
https://echa.europa.eu/web/guest/legal-notice
1-chloro-3-(4-chlorophenoxy) benzene
https://echa.europa.eu/substance-information/-/substanceinfo/100.129.023
1-chloro-3-(4-chlorophenoxy) benzene
https://echa.europa.eu/information-on-chemicals/cl-inventory-database/-/discli/details/113068
5. FDA Global Substance Registration System (GSRS)

LICENSE
Unless otherwise noted, the contents of the FDA website (www.fda.gov), both text and graphics, are not
copyrighted. They are in the public domain and may be republished, reprinted and otherwise used freely by
anyone without the need to obtain permission from FDA. Credit to the U.S. Food and Drug Administration as the
source is appreciated but not required.
https://www.fda.gov/about-fda/about-website/website-policies#linking
3,4'-DICHLORODIPHENYL ETHER
https://gsrs.ncats.nih.gov/ginas/app/beta/substances/IH41RTF1MQ
6. Japan Chemical Substance Dictionary (Nikkaji)

http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J151.897F
7. SpectraBase
3,4'-DICHLORODIPHENYLETHER
https://spectrabase.com/spectrum/993kyszFEX6
BENZENE, 1-CHLORO-2-(4-CHLOROPHENOXY)-
https://spectrabase.com/spectrum/LbcRQbuUj15
8. Springer Nature
https://pubchem.ncbi.nlm.nih.gov/substance/?source=15745&sourceid=15051478-410864943
9. SpringerMaterials
Benzene, 1-chloro-3-(4-chlorophenoxy)-
https://materials.springer.com/substanceprofile/docs/smsid_eebbsrhvspuymblz
10. Wikidata
LICENSE
CCZero
https://creativecommons.org/publicdomain/zero/1.0/
3,4'-dichlorodiphenyl ether
https://www.wikidata.org/wiki/Q27280723
11. PubChem
https://pubchem.ncbi.nlm.nih.gov
12. UN Globally Harmonized System of Classification and Labelling of

Chemicals (GHS)
GHS Classification Tree
http://www.unece.org/trans/danger/publi/ghs/ghs_welcome_e.html
13. NORMAN Suspect List Exchange

LICENSE
Data: CC-BY 4.0; Code (hosted by ECI, LCSB): Artistic-2.0
https://creativecommons.org/licenses/by/4.0/

https://www.norman-network.com/nds/SLE/
14. PATENTSCOPE (WIPO)

SID 388676154
https://pubchem.ncbi.nlm.nih.gov/substance/388676154

3,4'-Dichlorodiphenyl Ether - C12H8Cl2O - CID 81283 - PubChem

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3,4'-Dichlorodiphenyl Ether - C12H8Cl2O - CID 81283 - PubChem

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COMPOUND SUMMARY

Irritant Environmental Hazard

Laboratory Chemical Safety Summary (LCSS) Datasheet

Molecular Formula C12H8Cl2O

Synonyms 3,4'-Dichlorodiphenyl ether

Molecular Weight 239.09 g/mol

Dates Create: Modify:

2 Names and Identifiers

3 Chemical and Physical Properties

7 Safety and Hazards

Interactive Chemical Structure Model

Ball and Stick Sticks Wire-Frame Space-Filling

Show Hydrogens Animate

First Previous Conformer 1 of 6 Next Last

2 Names and Identifiers

2.1 Computed Descriptors

2.1.1 IUPAC Name

2.1.4 Canonical SMILES

2.2 Molecular Formula

2.3 Other Identifiers

2.3.2 European Community (EC) Number

2.3.4 DSSTox Substance ID

2.3.5 Nikkaji Number

2.4.1 Depositor-Supplied Synonyms

3 Chemical and Physical Properties

3.1 Computed Properties

Property Name Property Value Reference

Computed by PubChem 2.1 (PubChem release

Computed by XLogP3 3.0 (PubChem release

Computed by Cactvs 3.4.8.18 (PubChem release

Hydrogen Bond Acceptor Computed by Cactvs 3.4.8.18 (PubChem release

Computed by Cactvs 3.4.8.18 (PubChem release

237.9952203 Computed by PubChem 2.1 (PubChem release

237.9952203 Computed by PubChem 2.1 (PubChem release

Computed by Cactvs 3.4.8.18 (PubChem release

Heavy Atom Count 15 Computed by PubChem

Formal Charge 0 Computed by PubChem

Isotope Atom Count 0 Computed by PubChem

Defined Atom Stereocenter

Undefined Atom Stereocenter

Defined Bond Stereocenter

Undefined Bond Stereocenter

Covalently-Bonded Unit Count 1 Computed by PubChem

Compound Is Canonicalized Yes Computed by PubChem (release 2021.05.07)

3.2 SpringerMaterials Properties

13C nuclear magnetic resonance spectrum

4.1 1D NMR Spectra

4.1.1 13C NMR Spectra

Instrument Name JEOL GSX-270

5.1 Related Compounds with Annotation

Search SORT BY Neighbor Type - A to Z

Bithionate sodium; NCGC00178909-01; AB00053425_02

mitotane; 53-19-0; Mitotan; Lysodren; o,p'-DDD; ...

triclosan; 3380-34-5; 5-CHLORO-2-(2,4-DICHLOROPHENOXY)PHENOL;

GLYOXAL, (p-PHENOXYPHENYL)-; 70-97-3; 4I5SNZ6LNJ; NSC-89023; (p-

p,p'-DDD; 72-54-8; Rhothane; Dilene; Dichlorodiphenyldichloroethane; ...

First Previous Page 1 of 3,729 Next Last

5.2 Related Compounds

5.3.1 Related Substances

Same Count 112

5.3.2 Substances by Category

Chemical Vendors (55)

Curation Efforts (8)