Consensus flow list

Identity

Type
Neutral molecule
CAS
2051-62-9
EC
218-127-7
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for 4-chlorobiphenyl

Alternative labels

14

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string FPWNLURCHDRMHC-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C12H9Cl/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H
IUPAC name chemrof:IUPAC_name 4-chlorobiphenyl
Molecular formula chemrof:molecular_formula C12H9Cl
Molecular mass chemrof:molecular_mass 188.657
Monoisotopic mass chemrof:monoisotopic_mass 188.039278, 188.03928
SMILES string chemrof:smiles_string Clc1ccc(-c2ccccc2)cc1

Known URLs

21

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=2051-62-9 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:27757 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.016.480 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID3040300 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=37066 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL276334 enrich_references.pubchem_identifier_url
gmelin gmelin:131583 enrich_references.chebi_xrefs
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/QA22Z3NGLU enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0246395 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J47.611K enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C06584 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C06584 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=51445 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/16323 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#3432 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/23137097 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23250224 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24007621 enrich_references.chebi_xrefs
reaxys reaxys:774966 enrich_references.chebi_xrefs
umbbd.compound umbbd.compound:c0177 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q27103306 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
5bb6e497-1217-4796-a472-6d70a7f10671 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
6d23058d-bf16-4027-b8e2-2e45fb69e1ca Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
6a78085a-be8e-45cf-b4cc-43a7406a6235 Environmental → Air → Indoor EF 3.1 kg 2
d08793b3-d8bc-4e9f-8e4b-a3dabe443c9f Environmental → Air → Long-term EF 3.1 kg 0
5b38b46a-ecdb-4716-8821-1dd41ad8ba18 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
02170720-9f33-4d68-99be-6e2de800c84e Environmental → Air → Unknown EF 3.1 kg 2
12c2b153-ce50-4fa7-8667-fd227744dabf Environmental → Ground → Agricultural EF 3.1 kg 2
807307ce-adc2-4fdd-8fe0-ef77b8589ff2 Environmental → Ground → Non-agricultural EF 3.1 kg 2
a9215f2b-3303-4908-a929-60c55ecb578f Environmental → Ground → Unknown EF 3.1 kg 2
11e110c7-b53f-44b9-8aae-6c9589439acd Environmental → Water → Long-term EF 3.1 kg 0
7abee765-d865-43ac-be77-e056ba29bca0 Environmental → Water → Ocean EF 3.1 kg 2
a6b331c0-6461-4a78-96ff-2bb88c4785f8 Environmental → Water → Surface water EF 3.1 kg 2
678d2c86-c711-4d8f-b827-4869d5e0503e Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-4482c63d8804e43b",
  "prefLabel": [
    {
      "@value": "4-chlorobiphenyl",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1,1′-Biphenyl, 4-chloro-",
      "@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=2051-62-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1,1′-Biphenyl-4-yl chloride",
      "@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=2051-62-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1-Chloro-4-phenyl benzene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "http://purl.obolibrary.org/obo/CHEBI_27757"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "1-Chloro-4-phenylbenzene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4-Biphenylyl chloride",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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      }
    },
    {
      "@value": "4-Chlorbiphenyl",
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "4-chloro-1,1'-biphenyl",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "4-Chloro-1,1′-biphenyl",
      "@language": "en",
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        ],
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      }
    },
    {
      "@value": "4-chlorodiphenyl",
      "@language": "en",
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        ],
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      }
    },
    {
      "@value": "4-Monochloro-biphenyl",
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      "provenance": {
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    },
    {
      "@value": "Biphenyl, 4-chloro-",
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        ],
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      }
    },
    {
      "@value": "p-chlorobiphenyl",
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    {
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    },
    {
      "@value": "PCB 3",
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  "properties": {
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        },
        {
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          "prov:hadPrimarySource": [
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      ]
    },
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      "rdfs:label": "SMILES",
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      "provenance": [
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