Pentabromophenol

2,3,4,5,6-Pentabromophenol
Bromophenasic acid
Flammex 5BP
Perbromophenol
Phenol, 2,3,4,5,6-pentabromo-
Phenol, pentabromo-

Property	Value
InChI2D key string chemrof:inchi2d_key_string	SVHOVVJFOWGYJO-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C6HBr5O/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H
IUPAC name chemrof:IUPAC_name	Pentabromophenol
Molecular formula chemrof:molecular_formula	C6HBr5O
Molecular mass chemrof:molecular_mass	488.593
Monoisotopic mass chemrof:monoisotopic_mass	483.594425
SMILES string chemrof:smiles_string	Oc1c(Br)c(Br)c(Br)c(Br)c1Br

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=608-71-9	enrich_references.consensus_cas_link
chem.echa.europa.eu	https://chem.echa.europa.eu/100.009.244	enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org	https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=1564	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID9022079	enrich_references.pubchem_identifier_url
drugbank.ca	https://www.drugbank.ca/drugs/DB03167	enrich_references.pubchem_identifier_url
dtp.cancer.gov	https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=5717	enrich_references.pubchem_identifier_url
ebi.ac.uk	https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1235157	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/V89A88NMMX	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J13.680H	enrich_references.pubchem_identifier_url
metabolomicsworkbench.org	https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=147699	enrich_references.pubchem_identifier_url
platform.opentargets.org	https://platform.opentargets.org/drug/CHEMBL1235157	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/11852	enrich_references.pubchem_compound
PubChem	https://pubchem.ncbi.nlm.nih.gov/erg/#2811	enrich_references.pubchem_identifier_url
Wikidata	https://www.wikidata.org/wiki/Q27094104	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
8f12cd1f-a074-45e3-a98e-3da0ccc3d94e	Environmental → Air → Aircraft cruise height	EF 3.1	kg	2
c79d8aab-5bfe-4d84-8fd2-f6e3fa03a197	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	2
e0c063e9-a521-42e6-9fba-20b0dcdda84e	Environmental → Air → Indoor	EF 3.1	kg	2
2c4e0fa1-7884-444e-a49a-5da5e01828a4	Environmental → Air → Long-term	EF 3.1	kg	0
73fe7903-3b04-4e5a-9d1e-43cae641f584	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	2
d1fa0299-3d4f-4665-b1f4-899dce401a2a	Environmental → Air → Unknown	EF 3.1	kg	2
1c31e5b0-fc62-4d68-a733-c577b9146f76	Environmental → Ground → Agricultural	EF 3.1	kg	2
d111fb6a-1304-43f6-a8b8-1e477c55bd08	Environmental → Ground → Non-agricultural	EF 3.1	kg	2
c5dc217b-bf9d-4372-8f88-2d5751466c4f	Environmental → Ground → Unknown	EF 3.1	kg	2
cd663e6e-df51-4617-b46e-d1cb3b10d225	Environmental → Water → Long-term	EF 3.1	kg	0
68d901c0-71de-4d8b-9fce-b04fb99dafbf	Environmental → Water → Ocean	EF 3.1	kg	2
d9875482-f196-4525-97fd-66d8102ef362	Environmental → Water → Surface water	EF 3.1	kg	2
078425ea-d4b9-442f-8de1-fc928be3cc61	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-a55e0de094109088",
  "prefLabel": [
    {
      "@value": "Pentabromophenol",
      "@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": "2,3,4,5,6-Pentabromophenol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:608-71-9",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=608-71-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Bromophenasic acid",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:608-71-9",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=608-71-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Flammex 5BP",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "EF 3.1",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Perbromophenol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Phenol, 2,3,4,5,6-pentabromo-",
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    },
    {
      "@value": "Phenol, pentabromo-",
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  ],
  "properties": {
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    },
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}

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Pentabromophenol

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

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