Consensus flow list

Identity

Type
NeutralMolecule
CAS
95-50-1
EC
202-425-9
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for 1,2-dichlorobenzene

Alternative labels

15

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string RFFLAFLAYFXFSW-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C6H4Cl2/c7-5-3-1-2-4-6(5)8/h1-4H
IUPAC name chemrof:IUPAC_name 1,2-dichlorobenzene
Molecular formula chemrof:molecular_formula C6H4Cl2
Molecular mass chemrof:molecular_mass 147.004
Monoisotopic mass chemrof:monoisotopic_mass 145.969005, 145.96901
SMILES string chemrof:smiles_string Clc1ccccc1Cl

Known URLs

31

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
beilstein beilstein:606078 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=95-50-1 enrich_references.chebi_xrefs
cdc.gov https://www.cdc.gov/niosh-rtecs/CZ44AA20.html enrich_references.pubchem_identifier_url
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:35290 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.002.206 enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=1066 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID6020430 enrich_references.pubchem_identifier_url
drugbank.ca https://www.drugbank.ca/drugs/DB13963 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=60644 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL298461 enrich_references.pubchem_identifier_url
gmelin gmelin:82493 enrich_references.chebi_xrefs
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/6PJ93I88XL enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0244067 enrich_references.pubchem_identifier_url
hts.usitc.gov https://hts.usitc.gov/search?query=2903.91.20.00 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.951I enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C14328 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C14328 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=130082 enrich_references.pubchem_identifier_url
MetaCyc https://metacyc.org/compound?orgid=META&id=O-DICHLOROBENZENE enrich_references.chebi_xrefs
pdb-ccd pdb-ccd:YAN enrich_references.chebi_xrefs
platform.opentargets.org https://platform.opentargets.org/drug/CHEMBL298461 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/7239 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#1591 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/10048141 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/10698672 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/14168435 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/15792297 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/22165224 enrich_references.chebi_xrefs
reaxys reaxys:606078 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q2609815 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/1,2-Dichlorobenzene enrich_references.chebi_xrefs

Elementary flows

15
Flow Context Source Unit CFs
e2fb52fa-6555-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
4d9a8790-3ddd-11dd-9bc9-0050c2490048 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
7991700e-009e-4ade-a885-3aaef7be3aea Environmental → Air → Indoor EF 3.1 kg 4
4d9a8790-3ddd-11dd-9bc8-0050c2490048 Environmental → Air → Long-term EF 3.1 kg 0
4d9a8790-3ddd-11dd-9bca-0050c2490048 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
4d9a8790-3ddd-11dd-9bc7-0050c2490048 Environmental → Air → Unknown EF 3.1 kg 4
4d9a8790-3ddd-11dd-9bc5-0050c2490048 Environmental → Ground → Agricultural EF 3.1 kg 4
4d9a8790-3ddd-11dd-9bce-0050c2490048 Environmental → Ground → Non-agricultural EF 3.1 kg 4
4d9a8790-3ddd-11dd-9bc6-0050c2490048 Environmental → Ground → Unknown EF 3.1 kg 4
4d9a8790-3ddd-11dd-9bcc-0050c2490048 Environmental → Water → Long-term EF 3.1 kg 0
4d9a8790-3ddd-11dd-9bcf-0050c2490048 Environmental → Water → Ocean EF 3.1 kg 4
50f53cf052ecd3b6c268631a8bda50f835369eeb Environmental → Water → River bafu algorithm addition kg 0
4d9a8790-3ddd-11dd-9bcb-0050c2490048 Environmental → Water → Surface water EF 3.1 kg 4
be38c941f72c2fc3d24778444db0803d5fef6d37 Environmental → Water → Unconfined aquifer ecoinvent algorithm addition kg 0
4d9a8790-3ddd-11dd-9bcd-0050c2490048 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-91b9f3595189e2d4",
  "prefLabel": [
    {
      "@value": "1,2-dichlorobenzene",
      "@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": "1,2-dichlorbenzene",
      "@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_35290"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "2-dichlorobenzene",
      "@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_35290"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Benzene, 1,2-dichloro-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:95-50-1",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=95-50-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzene, o-dichloro-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:95-50-1",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=95-50-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Cloroben",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "https://commonchemistry.cas.org/detail?cas_rn=95-50-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Dilatin DB",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Dowtherm E",
      "@language": "en",
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          "https://commonchemistry.cas.org/detail?cas_rn=95-50-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "o-dichlorbenzene",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "o-dichlorbenzol",
      "@language": "en",
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      "provenance": {
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "o-Dichlorobenzene",
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      "provenance": {
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        "prov:wasDerivedFrom": "chebi synonym match"
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    },
    {
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        "prov:wasDerivedFrom": "chebi synonym match"
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    },
    {
      "@value": "ODB",
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "ODCB",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "ortho-dichlorobenzene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "orthodichlorobenzol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasDerivedFrom": "chebi synonym match"
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  ],
  "properties": {
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      "@value": [
        "C6H4Cl2"
      ],
      "attested_by": {
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      },
      "rdfs:label": "Molecular formula",
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        },
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          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Clc1ccccc1Cl"
          ]
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      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
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      "provenance": [
        {
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          "prov:hadPrimarySource": [
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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/molecular_mass": {
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        {
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          "prov:hadPrimarySource": [
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    },
    "https://w3id.org/chemrof/elemental_charge": {
      "@id": "https://w3id.org/chemrof/elemental_charge",
      "@value": [
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      "attested_by": {
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        "prov:wasDerivedFrom": "chebi.basic_property_values.charge"
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    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
      "@value": [
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      ],
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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      },
      "attested_by": {
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  },
  "references": [
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