4-Chloro-2-phenylphenol
PubChem CID
11827
Structure
Molecular Formula
Synonyms
- 4-CHLORO-2-PHENYLPHENOL
- 607-12-5
- 2-Phenyl-4-chlorophenol
- 5-chloro[1,1'-biphenyl]-2-ol
- 2-Biphenylol, 5-chloro-
Molecular Weight
204.65 g/mol
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Dates
- Create:2005-03-26
- Modify:2025-01-25
Chemical Structure Depiction
4-chloro-2-phenylphenol
Computed by Lexichem TK 2.7.0 (PubChem release 2024.11.20)
InChI=1S/C12H9ClO/c13-10-6-7-12(14)11(8-10)9-4-2-1-3-5-9/h1-8,14H
Computed by InChI 1.07.0 (PubChem release 2024.11.20)
DSQWWSVOIGUHAE-UHFFFAOYSA-N
Computed by InChI 1.07.0 (PubChem release 2024.11.20)
C1=CC=C(C=C1)C2=C(C=CC(=C2)Cl)O
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C12H9ClO
Computed by PubChem 2.2 (PubChem release 2024.11.20)
- 4-CHLORO-2-PHENYLPHENOL
- 607-12-5
- 2-Phenyl-4-chlorophenol
- 5-chloro[1,1'-biphenyl]-2-ol
- 2-Biphenylol, 5-chloro-
- 2-Hydroxy-5-chlorobiphenyl
- 5-Chloro-2-biphenylol
- o-Phenyl-p-chlorophenol
- 4-Chloro-o-phenylphenol
- Monochloro-2-phenylphenol
- p-Chloro-o-phenylphenol
- Caswell No. 210
- 5-Chlorobiphenyl-2-ol
- 5-Chloro-(1,1'-biphenyl)-2-ol
- 5-chloro-2-hydroxybiphenyl
- EINECS 210-130-1
- EPA Pesticide Chemical Code 062208
- NSC 406934
- (1,1'-Biphenyl)-2-ol, 5-chloro-
- BRN 1869818
- UNII-87E544QZ72
- AI3-09046
- 87E544QZ72
- NSC-406934
- [1,1'-Biphenyl]-2-ol, 5-chloro-
- Phenol, 4-chloro-2-phenyl-
- DTXSID90110046
- 5-Chloro(1,1'-biphenyl)-2-ol
- 3-06-00-03299 (Beilstein Handbook Reference)
- 5-Chloro-[1,1'-biphenyl]-2-ol
- 5Chloro2biphenylol
- oPhenylpchlorophenol
- pChloroophenylphenol
- 4Chloroophenylphenol
- 2Phenyl4chlorophenol
- 2Biphenylol, 5chloro
- 2Hydroxy5chlorobiphenyl
- 4-Chlor-2-phenylphenol
- [1, 5-chloro-
- 5Chloro(1,1'biphenyl)2ol
- SCHEMBL329155
- 2Biphenylol, 5chloro (8CI)
- (1,1'Biphenyl)2ol, 5chloro
- CHEMBL3274803
- DTXCID2021498
- NSC406934
- AKOS017439479
- NS00034434
- Q27269825
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
204.65 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
XLogP3
Property Value
4.2
Reference
Computed by XLogP3 3.0 (PubChem release 2024.11.20)
Property Name
Hydrogen Bond Donor Count
Property Value
1
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Hydrogen Bond Acceptor Count
Property Value
1
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Rotatable Bond Count
Property Value
1
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Exact Mass
Property Value
204.0341926 Da
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
Monoisotopic Mass
Property Value
204.0341926 Da
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
Topological Polar Surface Area
Property Value
20.2 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Heavy Atom Count
Property Value
14
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
177
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Covalently-Bonded Unit Count
Property Value
1
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2021.10.14)
0.0000107 [mmHg]
143.5 Ų [M-H]-
S50 | CCSCOMPEND | The Unified Collision Cross Section (CCS) Compendium | DOI:10.5281/zenodo.2658162
Semi-standard non-polar
1712
Potential endocrine disrupting compound
S109 | PARCEDC | List of 7074 potential endocrine disrupting compounds (EDCs) by PARC T4.2 | DOI:10.5281/zenodo.10944198
Other Classes -> Halogenated Polyaromatics
Follow these links to do a live 2D search or do a live 3D search for this compound, sorted by annotation score. This section is deprecated (see here for details), but these live search links provide equivalent functionality to the table that was previously shown here.
Same Parent, Exact Count
Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
PubMed Count
Sources/Uses
Used as a biocide; [ExPub: EC: SCENIHR]
Industrial Processes with risk of exposure
Using Disinfectants or Biocides [Category: Clean]
See Polychlorinated biphenyls.
Patents are available for this chemical structure:
https://patentscope.wipo.int/search/en/result.jsf?inchikey=DSQWWSVOIGUHAE-UHFFFAOYSA-N
- CAS Common ChemistryLICENSEThe data from CAS Common Chemistry is provided under a CC-BY-NC 4.0 license, unless otherwise stated.https://creativecommons.org/licenses/by-nc/4.0/5-Chlorobiphenyl-2-olhttps://commonchemistry.cas.org/detail?cas_rn=607-12-5
- ChemIDplus4-Chloro-2-phenylphenolhttps://pubchem.ncbi.nlm.nih.gov/substance/?source=chemidplus&sourceid=0000607125ChemIDplus Chemical Information Classificationhttps://pubchem.ncbi.nlm.nih.gov/source/ChemIDplus
- DTP/NCILICENSEUnless otherwise indicated, all text within NCI products is free of copyright and may be reused without our permission. Credit the National Cancer Institute as the source.https://www.cancer.gov/policies/copyright-reuse
- EPA DSSTox5-Chlorobiphenyl-2-olhttps://comptox.epa.gov/dashboard/DTXSID90110046CompTox Chemicals Dashboard Chemical Listshttps://comptox.epa.gov/dashboard/chemical-lists/
- European Chemicals Agency (ECHA)LICENSEUse 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-notice5-chloro[1,1'-biphenyl]-2-olhttps://echa.europa.eu/substance-information/-/substanceinfo/100.009.210
- FDA Global Substance Registration System (GSRS)LICENSEUnless 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#linking4-CHLORO-2-PHENYLPHENOLhttps://gsrs.ncats.nih.gov/ginas/app/beta/substances/87E544QZ72
- ChEMBLLICENSEAccess to the web interface of ChEMBL is made under the EBI's Terms of Use (http://www.ebi.ac.uk/Information/termsofuse.html). The ChEMBL data is made available on a Creative Commons Attribution-Share Alike 3.0 Unported License (http://creativecommons.org/licenses/by-sa/3.0/).http://www.ebi.ac.uk/Information/termsofuse.html
- Haz-Map, Information on Hazardous Chemicals and Occupational DiseasesLICENSECopyright (c) 2022 Haz-Map(R). All rights reserved. Unless otherwise indicated, all materials from Haz-Map are copyrighted by Haz-Map(R). No part of these materials, either text or image may be used for any purpose other than for personal use. Therefore, reproduction, modification, storage in a retrieval system or retransmission, in any form or by any means, electronic, mechanical or otherwise, for reasons other than personal use, is strictly prohibited without prior written permission.https://haz-map.com/About4-Chloro-2-phenylphenolhttps://haz-map.com/Agents/20015
- Japan Chemical Substance Dictionary (Nikkaji)
- NIST Mass Spectrometry Data CenterLICENSEData covered by the Standard Reference Data Act of 1968 as amended.https://www.nist.gov/srd/public-law[1,1'-Biphenyl]-2-ol, 5-chloro-http://www.nist.gov/srd/nist1a.cfm
- SpectraBase2-Hydroxy-5-chlorobiphenylhttps://spectrabase.com/spectrum/DAseaFt1Mwd2-Hydroxy-5-chlorobiphenylhttps://spectrabase.com/spectrum/F1Y8q9pcTgD
- NORMAN Suspect List ExchangeLICENSEData: CC-BY 4.0; Code (hosted by ECI, LCSB): Artistic-2.0https://creativecommons.org/licenses/by/4.0/2-Hydroxy-5-chlorobiphenylNORMAN Suspect List Exchange Classificationhttps://www.norman-network.com/nds/SLE/
- Springer Nature
- SpringerMaterials5-chloro[1,1'-biphenyl]-2-olhttps://materials.springer.com/substanceprofile/docs/smsid_yhsihcbtwfgefxvz
- Thieme ChemistryLICENSEThe Thieme Chemistry contribution within PubChem is provided under a CC-BY-NC-ND 4.0 license, unless otherwise stated.https://creativecommons.org/licenses/by-nc-nd/4.0/
- Wikidata4-chloro-2-phenylphenolhttps://www.wikidata.org/wiki/Q27269825
- PubChem
- EPA Substance Registry ServicesEPA SRS List Classificationhttps://sor.epa.gov/sor_internet/registry/substreg/LandingPage.do
- MolGenieMolGenie Organic Chemistry Ontologyhttps://github.com/MolGenie/ontology/
- PATENTSCOPE (WIPO)SID 403437087https://pubchem.ncbi.nlm.nih.gov/substance/403437087
CONTENTS