4-chloro-2-benzylphenol

2-benzyl-4-chlorophenol
2-Hydroxy-5-chlorodiphenylmethane
4-Chloro-2-(phenylmethyl)phenol
4-Chloro-α-phenyl-o-cresol
5-Chloro-2-hydroxydiphenylmethane
Bio-Clave
Chlorophene
Clorofene
Clorophene
Ketolin H
Neosabenyl
Nipacide BCP
Nipacide BCP 50
o-Benzyl-p-chlorophenol
o-Cresol, 4-chloro-α-phenyl-
p-Chloro-o-benzylphenol
Phenol, 4-chloro-2-(phenylmethyl)-
Preventol BP
Santophen
Santophen 1
Septiphene
Septol

Property	Value
Elemental charge chemrof:elemental_charge	0
InChI2D key string chemrof:inchi2d_key_string	NCKMMSIFQUPKCK-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C13H11ClO/c14-12-6-7-13(15)11(9-12)8-10-4-2-1-3-5-10/h1-7,9,15H,8H2
IUPAC name chemrof:IUPAC_name	4-chloro-2-benzylphenol
Molecular formula chemrof:molecular_formula	C13H11ClO
Molecular mass chemrof:molecular_mass	218.683
Monoisotopic mass chemrof:monoisotopic_mass	218.04984, 218.049843
SMILES string chemrof:smiles_string	Oc1ccc(Cl)cc1Cc1ccccc1

Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.

Resource	URL	Recorded by
CAS Common Chemistry	https://commonchemistry.cas.org/detail?cas_rn=120-32-1	enrich_references.chebi_xrefs
ChEBI	https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:228003	enrich_references.chebi_id_link
chem.echa.europa.eu	https://chem.echa.europa.eu/100.003.987	enrich_references.pubchem_identifier_url
ChemSpider	https://www.chemspider.com/Chemical-Structure.8118.html	enrich_references.chebi_xrefs
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID5020154	enrich_references.pubchem_identifier_url
dtp.cancer.gov	https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=59989	enrich_references.pubchem_identifier_url
ebi.ac.uk	https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1328919	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/7560BB0BO3	enrich_references.pubchem_identifier_url
HMDB	https://hmdb.ca/metabolites/HMDB0245035	enrich_references.chebi_xrefs
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J39.614A	enrich_references.pubchem_identifier_url
KEGG	https://www.genome.jp/entry/D88696	enrich_references.chebi_xrefs
kegg.jp	https://www.kegg.jp/entry/D03564	enrich_references.pubchem_identifier_url
metabolomicsworkbench.org	https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=162570	enrich_references.pubchem_identifier_url
ncithesaurus.nci.nih.gov	https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C65342	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/8425	enrich_references.pubchem_compound
PubChem	https://pubchem.ncbi.nlm.nih.gov/erg/#3077	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=125050	enrich_references.pubchem_identifier_url
wikidata.org	https://www.wikidata.org/wiki/Q22829551	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
f2157160-6555-11dd-ad8b-0800200c9a66	Environmental → Air → Aircraft cruise height	EF 3.1	kg	2
4d9a8790-3ddd-11dd-980b-0050c2490048	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	2
7a3cfc7f-4b4d-4718-8aa4-07d0299ebb54	Environmental → Air → Indoor	EF 3.1	kg	2
4d9a8790-3ddd-11dd-980a-0050c2490048	Environmental → Air → Long-term	EF 3.1	kg	0
4d9a8790-3ddd-11dd-980c-0050c2490048	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	2
4d9a8790-3ddd-11dd-9809-0050c2490048	Environmental → Air → Unknown	EF 3.1	kg	2
4d9a8790-3ddd-11dd-9807-0050c2490048	Environmental → Ground → Agricultural	EF 3.1	kg	2
4d9a8790-3ddd-11dd-9810-0050c2490048	Environmental → Ground → Non-agricultural	EF 3.1	kg	2
4d9a8790-3ddd-11dd-9808-0050c2490048	Environmental → Ground → Unknown	EF 3.1	kg	2
4d9a8790-3ddd-11dd-980e-0050c2490048	Environmental → Water → Long-term	EF 3.1	kg	0
4d9a8790-3ddd-11dd-9811-0050c2490048	Environmental → Water → Ocean	EF 3.1	kg	2
4d9a8790-3ddd-11dd-980d-0050c2490048	Environmental → Water → Surface water	EF 3.1	kg	2
4d9a8790-3ddd-11dd-980f-0050c2490048	Environmental → Water → Unknown	EF 3.1	kg	2

Everything that changed this substance (56 changes)

Open the changes page

Flow object JSON

{
  "flow_object_id": "fo-d01482b79db6a5ff",
  "prefLabel": [
    {
      "@value": "4-chloro-2-benzylphenol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "2-benzyl-4-chlorophenol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_228003"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "2-Hydroxy-5-chlorodiphenylmethane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:120-32-1",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=120-32-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4-Chloro-2-(phenylmethyl)phenol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:120-32-1",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=120-32-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4-Chloro-α-phenyl-o-cresol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=120-32-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "5-Chloro-2-hydroxydiphenylmethane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:120-32-1",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=120-32-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Bio-Clave",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:120-32-1",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=120-32-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Chlorophene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:120-32-1",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=120-32-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Clorofene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:120-32-1",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=120-32-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Clorophene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:120-32-1",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=120-32-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Ketolin H",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:120-32-1",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=120-32-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Neosabenyl",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=120-32-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Nipacide BCP",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Nipacide BCP 50",
      "@language": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "o-Benzyl-p-chlorophenol",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "o-Cresol, 4-chloro-α-phenyl-",
      "@language": "en",
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        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "p-Chloro-o-benzylphenol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Phenol, 4-chloro-2-(phenylmethyl)-",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Preventol BP",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Santophen",
      "@language": "en",
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      "provenance": {
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Santophen 1",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Septiphene",
      "@language": "en",
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      "provenance": {
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Septol",
      "@language": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
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      "@id": "https://w3id.org/chemrof/molecular_formula",
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        "C13H11ClO"
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4-chloro-2-benzylphenol

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

History

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