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tris(2,3-dibromopropyl) phosphate

fo-7dbcdf49ff1d3368

Identity

Type
Neutral molecule
CAS
126-72-7
EC
204-799-9
Origin
EF 3.1 hybrid_name_cas_v1
Changes
60 across every transformer

Structure

Structure diagram for tris(2,3-dibromopropyl) phosphate

What it is used for

2

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
environmental contaminant CHEBI:78298 Any minor or unwanted substance introduced into the environment that can have undesired effects. ChEBI
persistent organic pollutant CHEBI:77853 Any environmental contaminant that is resistant to environmental degradation through photolytic, biological or chemical processes. Such substances can have significant impact on health and the environment, as they persist in the environment, bioaccumulate in animal tissue and so biomagnify in food chains. ChEBI

Alternative labels

23

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string PQYJRMFWJJONBO-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C9H15Br6O4P/c10-1-7(13)4-17-20(16,18-5-8(14)2-11)19-6-9(15)3-12/h7-9H,1-6H2
IUPAC name chemrof:IUPAC_name tris(2,3-dibromopropyl) phosphate
Molecular formula chemrof:molecular_formula C9H15Br6O4P
Molecular mass chemrof:molecular_mass 697.613
Monoisotopic mass chemrof:monoisotopic_mass 691.580818, 691.58082
SMILES string chemrof:smiles_string O=P(OCC(Br)CBr)(OCC(Br)CBr)OCC(Br)CBr

Known URLs

41

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=126-72-7 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:82282 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.004.364 enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0433 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID5021413 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=3240 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1904600 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/X7O89N7ZY0 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.622F enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C19182 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C19182 enrich_references.pubchem_identifier_url
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C44460 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/31356 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#3082 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/10476477 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/10918353 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/15323032 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/1568270 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/1635451 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/21105245 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/21863116 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24492228 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/30121771 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/33618115 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/35228380 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/38556319 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/38754667 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/397179 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/7071866 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/7094911 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/7466817 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/7718306 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/7835536 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/8013416 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/8020156 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/8441997 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/8566475 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/8991072 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/9714806 enrich_references.chebi_xrefs
Wikidata https://www.wikidata.org/wiki/Q2443865 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Tris(2,3-dibromopropyl)_phosphate enrich_references.chebi_xrefs

Elementary flows

14
Flow Context Source Unit CFs
041f8400-6556-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
4d9a8790-3ddd-11dd-9851-0050c2490048 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
798a412d-346f-4818-b8d8-9eca6ea11e2b Environmental → Air → Indoor EF 3.1 kg 4
4d9a8790-3ddd-11dd-9850-0050c2490048 Environmental → Air → Long-term EF 3.1 kg 0
4d9a8790-3ddd-11dd-9852-0050c2490048 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
4d9a8790-3ddd-11dd-984f-0050c2490048 Environmental → Air → Unknown EF 3.1 kg 4
4d9a8790-3ddd-11dd-984d-0050c2490048 Environmental → Ground → Agricultural EF 3.1 kg 4
fe0acd60-3ddc-11dd-a059-0050c2490048 Environmental → Ground → Non-agricultural EF 3.1 kg 4
4d9a8790-3ddd-11dd-984e-0050c2490048 Environmental → Ground → Unknown EF 3.1 kg 4
4d9a8790-3ddd-11dd-9854-0050c2490048 Environmental → Water → Long-term EF 3.1 kg 0
fe0acd60-3ddc-11dd-a05a-0050c2490048 Environmental → Water → Ocean EF 3.1 kg 4
4d9a8790-3ddd-11dd-9853-0050c2490048 Environmental → Water → Surface water EF 3.1 kg 4
b45a14cb576e76c1568bb676de1188a74d5285a4 Environmental → Water → Unconfined aquifer stepwise algorithm addition kg 0
4d9a8790-3ddd-11dd-9855-0050c2490048 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (60 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-7dbcdf49ff1d3368",
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    {
      "@value": "tris(2,3-dibromopropyl) phosphate",
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      "@value": "3PBR",
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    {
      "@value": "Apex 462-5",
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    },
    {
      "@value": "Bromkal P 67-6HP",
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    },
    {
      "@value": "FireMaster LV-T 23P",
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    },
    {
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        ],
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      }
    },
    {
      "@value": "Flammex AP",
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    {
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    },
    {
      "@value": "Flammex T 23P",
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          "https://commonchemistry.cas.org/detail?cas_rn=126-72-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Fyrol HB 32",
      "@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": "Phoscon FR 150",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Phoscon PE 60",
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      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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          "https://commonchemistry.cas.org/detail?cas_rn=126-72-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Phoscon UF-S",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "https://commonchemistry.cas.org/detail?cas_rn=126-72-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "phosphoric acid tris(2,3-dibromopropyl) ester",
      "@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_82282"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Phosphoric acid, tris(2,3-dibromopropyl) ester",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=126-72-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "TDBPP",
      "@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_82282"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "tris (flame retardant)",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Tris(2,3-dibromopropyl)phosphate",
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        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "original EF name retained as altLabel"
      }
    },
    {
      "@value": "tris-BP",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "http://purl.obolibrary.org/obo/CHEBI_82282"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Unflame 3PB",
      "@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=126-72-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Zetofex ZN",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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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": [
        "C9H15Br6O4P"
      ],
      "attested_by": {
        "C9H15Br6O4P": [
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      },
      "rdfs:label": "Molecular formula",
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          "prov:hadPrimarySource": [
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    },
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      "rdfs:label": "SMILES",
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        "O=P(OCC(Br)CBr)(OCC(Br)CBr)OCC(Br)CBr"
      ],
      "provenance": [
        {
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      "attested_by": {
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    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
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    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "PQYJRMFWJJONBO-UHFFFAOYSA-N"
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        "prov:wasDerivedFrom": "semantic_typing.rule.neutral_molecule"
      }
    }
  },
  "classifications": {
    "http://semanticscience.org/resource/CHEMINF_000446": {
      "@value": [
        "126-72-7"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=126-72-7"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=126-72-7"
        }
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    "http://semanticscience.org/resource/CHEMINF_000447": {
      "@value": [
        "204-799-9"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=204-799-9"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "ec_numbers"
      }
    }
  },
  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "http://www.w3.org/2004/02/skos/core#definition": [
    {
      "@value": "A trialkyl phosphate that is phosphoric acid in which the three hydroxy groups are substituted by 2,3-dibromopropoxy groups.",
      "@language": "en",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.chebi_definition",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "http://purl.obolibrary.org/obo/CHEBI_82282"
        ],
        "prov:wasDerivedFrom": "chebi.definition"
      }
    }
  ],
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ],
  "http://purl.obolibrary.org/obo/RO_0000087": [
    {
      "@id": "http://purl.obolibrary.org/obo/CHEBI_78298",
      "rdfs:label": "environmental contaminant",
      "http://www.w3.org/2004/02/skos/core#definition": "Any minor or unwanted substance introduced into the environment that can have undesired effects.",
      "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_77853",
      "rdfs:label": "persistent organic pollutant",
      "http://www.w3.org/2004/02/skos/core#definition": "Any environmental contaminant that is resistant to environmental degradation through photolytic, biological or chemical processes. Such substances can have significant impact on health and the environment, as they persist in the environment, bioaccumulate in animal tissue and so biomagnify in food chains.",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_roles",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "ChEBI"
        ],
        "prov:wasDerivedFrom": "http://semanticscience.org/resource/CHEMINF_000446 -> ChEBI RO:0000087"
      }
    }
  ]
}

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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

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