Consensus flow list

Identity

Type
Neutral molecule
CAS
2104-96-3
EC
218-277-3
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for Bromophos

Alternative labels

21

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string NYQDCVLCJXRDSK-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C8H8BrCl2O3PS/c1-12-15(16,13-2)14-8-4-6(10)5(9)3-7(8)11/h3-4H,1-2H3
IUPAC name chemrof:IUPAC_name O,O-Dimethyl O-(2,5-dichloro-4-bromophenyl) thiophosphate
Molecular formula chemrof:molecular_formula C8H8BrCl2O3PS
Molecular mass chemrof:molecular_mass 366.0
Monoisotopic mass chemrof:monoisotopic_mass 363.849219, 363.84922
SMILES string chemrof:smiles_string COP(=S)(OC)Oc1cc(Cl)c(Br)cc1Cl

Known URLs

16

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=2104-96-3 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:82104 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.016.616 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID1041683 enrich_references.pubchem_identifier_url
drugbank.ca https://www.drugbank.ca/drugs/DB20184 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=527602 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL2104572 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/74A4TNE8C3 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.141E enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C18965 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C18965 enrich_references.pubchem_identifier_url
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C163633 enrich_references.pubchem_identifier_url
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C73324 enrich_references.pubchem_identifier_url
ppdb ppdb:93 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/16422 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q2926019 enrich_references.pubchem_identifier_url

Elementary flows

14
Flow Context Source Unit CFs
5c9cd9db-d5c7-443f-b53a-bbc96d0fd913 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
880e3ab9-7301-45da-aae6-8b41adb1480a Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
229cda35-2eb8-4bb3-a137-a425cd4e954b Environmental → Air → Indoor EF 3.1 kg 4
a881cdfe-001a-4ea9-8c7b-72785daf064b Environmental → Air → Long-term EF 3.1 kg 0
d937142c-9aa4-453a-8175-217e12d6cc99 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
23f22001-4b70-4a7b-b351-8cb2b9c7d864 Environmental → Air → Unknown EF 3.1 kg 4
056a6136-1537-4af4-85f1-ff37e589f1af Environmental → Ground → Agricultural EF 3.1 kg 4
d49e32e8-f590-49e3-980a-86e0c801f554 Environmental → Ground → Non-agricultural EF 3.1 kg 4
0a8f8af9ec053331accf838543df3abb71395e34 Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
6a32027b-a452-4a9a-859d-5604b3e6a99c Environmental → Ground → Unknown EF 3.1 kg 4
07c9b582-16c5-465f-b151-0f5c03bf9810 Environmental → Water → Long-term EF 3.1 kg 0
e2e51f12-b27f-4fe1-96cc-d5267f2ef616 Environmental → Water → Ocean EF 3.1 kg 4
92b5817c-e055-4f2b-8e35-e3449b117cdd Environmental → Water → Surface water EF 3.1 kg 4
287d7b9c-f716-4221-b8ab-ca83877460a6 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-5df8ff46564ea4f9",
  "prefLabel": [
    {
      "@value": "Bromophos",
      "@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": "4-Bromo-2,5-dichlorophenyl dimethyl phosphorothionate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:2104-96-3",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=2104-96-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Bromofos",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:2104-96-3",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=2104-96-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Bromophos-methyl",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:2104-96-3",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=2104-96-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Bromovur",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:2104-96-3",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=2104-96-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Cela S 1942",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "https://commonchemistry.cas.org/detail?cas_rn=2104-96-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Drillzid",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Metabrom",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Nexion",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "https://commonchemistry.cas.org/detail?cas_rn=2104-96-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Nexion 25WP",
      "@language": "en",
      "@lang": "en",
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        ],
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      }
    },
    {
      "@value": "Nexion 40",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Nexion 40EC",
      "@language": "en",
      "@lang": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Nexion 5G",
      "@language": "en",
      "@lang": "en",
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      }
    },
    {
      "@value": "Nexion LC 40",
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        ],
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      }
    },
    {
      "@value": "O,O-Dimethyl O-(2,5-dichloro-4-bromophenyl) thiophosphate",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "O,O-Dimethyl O-(4-bromo-2,5-dichlorophenyl) phosphorothioate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "O,O-Dimethyl O-(4-bromo-2,5-dichlorophenyl) phosphorothionate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "O,O-Dimethyl-O-(2,5-dichloro-4-bromophenyl)phosphorothioate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "O-(4-Bromo-2,5-dichlorophenyl) O,O-dimethyl phosphorothioate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Omexan",
      "@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": "Phosphorothioic acid, O-(4-bromo-2,5-dichlorophenyl) O,O-dimethyl ester",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Sovinexion",
      "@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": {
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      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C8H8BrCl2O3PS"
      ],
      "attested_by": {
        "C8H8BrCl2O3PS": [
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          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "Molecular formula",
      "provenance": [
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        },
        {
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          "prov:hadPrimarySource": [
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        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
        "COP(=S)(OC)Oc1cc(Cl)c(Br)cc1Cl"
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      "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": [
        "InChI=1S/C8H8BrCl2O3PS/c1-12-15(16,13-2)14-8-4-6(10)5(9)3-7(8)11/h3-4H,1-2H3"
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    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "NYQDCVLCJXRDSK-UHFFFAOYSA-N"
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    },
    "https://w3id.org/chemrof/molecular_mass": {
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      "@value": [
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      ],
      "attested_by": {
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      },
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    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
      "@id": "https://w3id.org/chemrof/monoisotopic_mass",
      "@value": [
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      "attested_by": {
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