Brightway Flows 1.0
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Identity

Type
Neutral molecule
CAS
81-19-6
EC
201-332-0
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 1,3-dichloro-2-(dichloromethyl)benzene

Alternative labels

6

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string QQPXXHAEIGVZKQ-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C7H4Cl4/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3,7H
IUPAC name chemrof:IUPAC_name 1,3-dichloro-2-(dichloromethyl)benzene
Molecular formula chemrof:molecular_formula C7H4Cl4
Molecular mass chemrof:molecular_mass 229.921
Monoisotopic mass chemrof:monoisotopic_mass 227.906711
SMILES string chemrof:smiles_string Clc1cccc(Cl)c1C(Cl)Cl

Known URLs

9

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=81-19-6 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.001.212 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID8021773 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=79866 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/7P4LG60H4S enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J79.426K enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/6671 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#3265 enrich_references.pubchem_identifier_url
Wikidata https://www.wikidata.org/wiki/Q27268667 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
ac0ee2c1-5690-4fd7-88b1-a8b1d7bfa9fe Environmental → Air → Aircraft cruise height EF 3.1 kg 2
d952e718-52ea-4728-87a3-67d46b8514ea Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
10ec353e-28ab-41dd-b5aa-985b1267b182 Environmental → Air → Indoor EF 3.1 kg 2
cc52761c-16f4-4d30-90cb-b34e24b6dc1c Environmental → Air → Long-term EF 3.1 kg 0
fdf0c957-6987-4b19-bb17-84132340c487 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
a673cbb3-2b31-4bb4-bb10-a94aff298ee8 Environmental → Air → Unknown EF 3.1 kg 2
48932702-d5e9-46e3-bb43-199172d022eb Environmental → Ground → Agricultural EF 3.1 kg 2
196dba52-ee6e-4ad3-ae2e-0a53a6574a7a Environmental → Ground → Non-agricultural EF 3.1 kg 2
23f493a6-8572-4f4c-b551-95b50b2d59d9 Environmental → Ground → Unknown EF 3.1 kg 2
e096fa63-a0b7-42fd-b92e-a92d459e86c2 Environmental → Water → Long-term EF 3.1 kg 0
c443ee12-0067-4713-b072-2885e2827145 Environmental → Water → Ocean EF 3.1 kg 2
8d93acab-9996-40e9-bd9a-3d789ed32fdc Environmental → Water → Surface water EF 3.1 kg 2
688ad3ca-9684-450f-a064-dc96047abf4a Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-abd744004fe17109",
  "prefLabel": [
    {
      "@value": "1,3-dichloro-2-(dichloromethyl)benzene",
      "@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": "2,6,α,α-Tetrachlorotoluene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:81-19-6",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=81-19-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2,6-Dichlorobenzal chloride",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:81-19-6",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=81-19-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2,6-Dichlorobenzylidene chloride",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:81-19-6",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=81-19-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzene, 1,3-dichloro-2-(dichloromethyl)-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:81-19-6",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=81-19-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Toluene, α,α,2,6-tetrachloro-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
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      }
    },
    {
      "@value": "α,α,2,6-Tetrachlorotoluene",
      "@language": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
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        "C7H4Cl4"
      ],
      "attested_by": {
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          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "Molecular formula",
      "provenance": [
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        },
        {
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        }
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    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
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      "rdfs:label": "InChIKey",
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        {
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          "prov:hadPrimarySource": [
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          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
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      ],
      "provenance": [
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        },
        {
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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": [
        "InChI=1S/C7H4Cl4/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3,7H"
      ],
      "provenance": [
        {
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          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
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          "prov:hadPrimarySource": [
            "Clc1cccc(Cl)c1C(Cl)Cl"
          ]
        }
      ],
      "attested_by": {
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        ]
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
      "@value": [
        "1,3-dichloro-2-(dichloromethyl)benzene"
      ],
      "provenance": {
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        "prov:hadPrimarySource": [
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        ]
      },
      "attested_by": {
        "1,3-dichloro-2-(dichloromethyl)benzene": [
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      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "rdfs:label": "Molecular mass",
      "@value": [
        229.921
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C1=CC(=C(C(=C1)Cl)C(Cl)Cl)Cl"
          ]
        },
        {
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          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Clc1cccc(Cl)c1C(Cl)Cl"
          ]
        }
      ],
      "attested_by": {
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        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
      "@id": "https://w3id.org/chemrof/monoisotopic_mass",
      "rdfs:label": "Monoisotopic mass",
      "@value": [
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      ],
      "provenance": [
        {
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          ]
        },
        {
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          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
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          ]
        }
      ],
      "attested_by": {
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          "rdkit_pre_consensus"
        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    }
  },
  "references": [
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        ],
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    },
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    {
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  ],
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    "semantic_typing": {
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  "classifications": {
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  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
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  ]
}

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