Pentafluorophenol

2,3,4,5,6-Pentafluorophenol
Hydroxypentafluorobenzene
Pentafluorohydroxybenzene
Perfluorophenol
Phenol, 2,3,4,5,6-pentafluoro-
Phenol, pentafluoro-

Property	Value
InChI2D key string chemrof:inchi2d_key_string	XBNGYFFABRKICK-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C6HF5O/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H
IUPAC name chemrof:IUPAC_name	Pentafluorophenol
Molecular formula chemrof:molecular_formula	C6HF5O
Molecular mass chemrof:molecular_mass	184.063
Monoisotopic mass chemrof:monoisotopic_mass	183.994756
SMILES string chemrof:smiles_string	Oc1c(F)c(F)c(F)c(F)c1F

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=771-61-9	enrich_references.pubchem_identifier_url
chem.echa.europa.eu	https://chem.echa.europa.eu/100.011.123	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID9061120	enrich_references.pubchem_identifier_url
dtp.cancer.gov	https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=21627	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/A2YCF0YUHA	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J34.564D	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/13041	enrich_references.pubchem_compound
Wikidata	https://www.wikidata.org/wiki/Q27273543	enrich_references.pubchem_identifier_url
Wikipedia	https://en.wikipedia.org/wiki/Pentafluorophenol	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
d3ebda6b-5fd2-41fb-815b-570afd67329b	Environmental → Air → Aircraft cruise height	EF 3.1	kg	2
f98d0375-9a01-47c3-a9aa-6664af256cca	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	2
16d38054-5d37-4176-9831-349808820076	Environmental → Air → Indoor	EF 3.1	kg	2
10699385-84a9-47a2-a502-051674eff952	Environmental → Air → Long-term	EF 3.1	kg	0
8ac9cca2-2b63-4b33-8f48-4b4a3a3604ff	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	2
f800fe38-a95b-470a-bf7d-437f201363e3	Environmental → Air → Unknown	EF 3.1	kg	2
bf8799bf-0348-4dfa-a970-4774c7f314a7	Environmental → Ground → Agricultural	EF 3.1	kg	2
c91ca1e8-dd30-4270-a78b-1b978e26fe09	Environmental → Ground → Non-agricultural	EF 3.1	kg	2
ff932ccd-f2cd-43a4-9ca9-083f11f332a5	Environmental → Ground → Unknown	EF 3.1	kg	2
5f151986-92b8-4c28-a931-93809d1a01c8	Environmental → Water → Long-term	EF 3.1	kg	0
c0623fa1-5de6-4526-aded-2d0c3eb928c9	Environmental → Water → Ocean	EF 3.1	kg	2
a31112a0-e00f-485e-affb-f10079067f5c	Environmental → Water → Surface water	EF 3.1	kg	2
6e7574ce-17f2-4aa0-bf75-d1ef2e4d6727	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-1dc07bb3e4f9edf1",
  "prefLabel": [
    {
      "@value": "Pentafluorophenol",
      "@language": "en",
      "@lang": "en",
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          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "2,3,4,5,6-Pentafluorophenol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "https://commonchemistry.cas.org/detail?cas_rn=771-61-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Hydroxypentafluorobenzene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Pentafluorohydroxybenzene",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Perfluorophenol",
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    },
    {
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}

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Pentafluorophenol

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Structure

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