Pentachlorophenol

Roles, not types. A substance bears as many as apply — sulfluramid is an insecticide and an acaricide — and each is a class ChEBI curates, asserted with ChEBI’s own has role. The narrow ones publish the broad ones alongside them, so a substance filed as a herbicide is a pesticide here too. See agricultural chemicals for what the axis is and which classes are published.

Role	Definition	Evidence
fungicide CHEBI:24127	A substance used to destroy fungal pests.	ChEBI
pesticide CHEBI:25944	Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests.	ChEBI

1-Hydroxy-2,3,4,5,6-pentachlorobenzene
1-Hydroxypentachlorobenzene
2,3,4,5,6-pentachlorophenol
Chlon
Chlorophenasic acid
Dowicide 7
Dowicide EC 7
Dura Treet II
Fungifen
Grundier Arbezol
Lauxtol
Liroprem
MeSH ID: D010416
PCP (pesticide)
Penchlorol
Penton 70
Pentor 70
Perchlorophenol
Permasan
Phenol, 2,3,4,5,6-pentachloro-
Phenol, pentachloro-
Pol Nu
Pole topper
Pole topper fluid
Preventol P
Santophen 20
Satophen
Witophen P
Woodtreat A

Property	Value
Elemental charge chemrof:elemental_charge	0
InChI2D key string chemrof:inchi2d_key_string	IZUPBVBPLAPZRR-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C6HCl5O/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H
IUPAC name chemrof:IUPAC_name	Pentachlorophenol
Molecular formula chemrof:molecular_formula	C6HCl5O
Molecular mass chemrof:molecular_mass	266.338
Monoisotopic mass chemrof:monoisotopic_mass	263.847, 263.847003
SMILES string chemrof:smiles_string	Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl

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=87-86-5	enrich_references.chebi_xrefs
cdc.gov	https://www.cdc.gov/niosh-rtecs/SM602160.html	enrich_references.pubchem_identifier_url
ChEBI	https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:17642	enrich_references.chebi_id_link
chem.echa.europa.eu	https://chem.echa.europa.eu/100.001.617	enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org	https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0069	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID7021106	enrich_references.pubchem_identifier_url
dtp.cancer.gov	https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=263497	enrich_references.pubchem_identifier_url
dtp.cancer.gov	https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=40792	enrich_references.pubchem_identifier_url
ebi.ac.uk	https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL75967	enrich_references.pubchem_identifier_url
gmelin	gmelin:102794	enrich_references.chebi_xrefs
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/D9BSU0SE4T	enrich_references.pubchem_identifier_url
HMDB	https://hmdb.ca/metabolites/HMDB0041974	enrich_references.chebi_xrefs
hts.usitc.gov	https://hts.usitc.gov/search?query=2908.11.00.00	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.904G	enrich_references.pubchem_identifier_url
KEGG	https://www.genome.jp/entry/C02575	enrich_references.chebi_xrefs
kegg.jp	https://www.kegg.jp/entry/C02575	enrich_references.pubchem_identifier_url
knapsack	knapsack:C00007496	enrich_references.chebi_xrefs
lincs.smallmolecule	lincs.smallmolecule:LSM-37108	enrich_references.chebi_xrefs
metabolomicsworkbench.org	https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=49670	enrich_references.pubchem_identifier_url
MetaCyc	https://metacyc.org/compound?orgid=META&id=PENTACHLOROPHENOL	enrich_references.chebi_xrefs
pdb-ccd	pdb-ccd:PCI	enrich_references.chebi_xrefs
ppdb	ppdb:513	enrich_references.chebi_xrefs
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/992	enrich_references.pubchem_compound
PubChem	https://pubchem.ncbi.nlm.nih.gov/erg/#3155	enrich_references.pubchem_identifier_url
PubMed	https://pubmed.ncbi.nlm.nih.gov/17497895	enrich_references.chebi_xrefs
PubMed	https://pubmed.ncbi.nlm.nih.gov/23636589	enrich_references.chebi_xrefs
PubMed	https://pubmed.ncbi.nlm.nih.gov/24123209	enrich_references.chebi_xrefs
reaxys	reaxys:1285380	enrich_references.chebi_xrefs
umbbd.compound	umbbd.compound:c0326	enrich_references.chebi_xrefs
Wikidata	https://www.wikidata.org/wiki/Q423922	enrich_references.pubchem_identifier_url
Wikipedia	https://en.wikipedia.org/wiki/Pentachlorophenol	enrich_references.chebi_xrefs

Flow	Context	Source	Unit	CFs
e2fb2bdc-6555-11dd-ad8b-0800200c9a66	Environmental → Air → Aircraft cruise height	EF 3.1	kg	6
08a91e70-3ddc-11dd-9129-0050c2490048	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	6
6acaf758-e408-411b-a5c5-5ebaa4854c8f	Environmental → Air → Indoor	EF 3.1	kg	6
08a91e70-3ddc-11dd-9128-0050c2490048	Environmental → Air → Long-term	EF 3.1	kg	0
08a91e70-3ddc-11dd-a099-0050c2490048	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	6
08a91e70-3ddc-11dd-9127-0050c2490048	Environmental → Air → Unknown	EF 3.1	kg	6
08a91e70-3ddc-11dd-90f0-0050c2490048	Environmental → Ground → Agricultural	EF 3.1	kg	6
fe0acd60-3ddc-11dd-aa5c-0050c2490048	Environmental → Ground → Non-agricultural	EF 3.1	kg	6
b7c61af75fe66716ea6a5ed50e76560e54f56c83	Environmental → Ground → Silvicultural	ecoinvent algorithm addition	kg	0
08a91e70-3ddc-11dd-9126-0050c2490048	Environmental → Ground → Unknown	EF 3.1	kg	6
fe0acd60-3ddc-11dd-aa5a-0050c2490048	Environmental → Water → Long-term	EF 3.1	kg	0
fe0acd60-3ddc-11dd-aa5d-0050c2490048	Environmental → Water → Ocean	EF 3.1	kg	6
c342c4a8b1f51143a3cd66186722aced72d3139f	Environmental → Water → River	bafu algorithm addition	kg	0
fe0acd60-3ddc-11dd-aa59-0050c2490048	Environmental → Water → Surface water	EF 3.1	kg	6
398a8d621b2ee62aa93b7365d5de47bfdf34e258	Environmental → Water → Unconfined aquifer	stepwise algorithm addition	kg	0
fe0acd60-3ddc-11dd-aa5b-0050c2490048	Environmental → Water → Unknown	EF 3.1	kg	6

Everything that changed this substance (58 changes)

Open the changes page

Flow object JSON

{
  "flow_object_id": "fo-63454ca6db1faf72",
  "prefLabel": [
    {
      "@value": "Pentachlorophenol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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          "EF 3.1"
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        "prov:wasDerivedFrom": "legacy name field"
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    }
  ],
  "altLabel": [
    {
      "@value": "1-Hydroxy-2,3,4,5,6-pentachlorobenzene",
      "@language": "en",
      "@lang": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
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    },
    {
      "@value": "1-Hydroxypentachlorobenzene",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
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    },
    {
      "@value": "2,3,4,5,6-pentachlorophenol",
      "@language": "en",
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        "prov:wasDerivedFrom": "chebi synonym match"
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    {
      "@value": "Chlon",
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    },
    {
      "@value": "Chlorophenasic acid",
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    },
    {
      "@value": "Dowicide 7",
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      "@value": "Dowicide EC 7",
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    },
    {
      "@value": "Dura Treet II",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Fungifen",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Grundier Arbezol",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Lauxtol",
      "@language": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Liroprem",
      "@language": "en",
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      }
    },
    {
      "@value": "MeSH ID: D010416",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "PCP (pesticide)",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Penchlorol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=87-86-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Penton 70",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Pentor 70",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "https://commonchemistry.cas.org/detail?cas_rn=87-86-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Perchlorophenol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=87-86-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Permasan",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:87-86-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=87-86-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Phenol, 2,3,4,5,6-pentachloro-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
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      }
    },
    {
      "@value": "Phenol, pentachloro-",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Pol Nu",
      "@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=87-86-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Pole topper",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Pole topper fluid",
      "@language": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Preventol P",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Santophen 20",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "https://commonchemistry.cas.org/detail?cas_rn=87-86-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Satophen",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Witophen P",
      "@language": "en",
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      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Woodtreat A",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C6HCl5O"
      ],
      "attested_by": {
        "C6HCl5O": [
          "enrich_references.chebi_semantic",
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "Molecular formula",
      "provenance": [
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        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl"
          ]
        }
      ]
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      "@id": "http://purl.obolibrary.org/obo/CHEBI_24127",
      "rdfs:label": "fungicide",
      "http://www.w3.org/2004/02/skos/core#definition": "A substance used to destroy fungal pests.",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_roles",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "ChEBI"
        ],
        "prov:wasDerivedFrom": "http://semanticscience.org/resource/CHEMINF_000446 -> ChEBI RO:0000087"
      }
    },
    {
      "@id": "http://purl.obolibrary.org/obo/CHEBI_25944",
      "rdfs:label": "pesticide",
      "http://www.w3.org/2004/02/skos/core#definition": "Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests.",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_roles",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "ChEBI"
        ],
        "prov:wasDerivedFrom": "http://semanticscience.org/resource/CHEMINF_000446 -> ChEBI RO:0000087"
      }
    }
  ]
}

You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works

Pentachlorophenol

Identity

Structure

What it is used for

Alternative labels

Properties

Known URLs

Elementary flows

History

Full record

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