Consensus flow list

Identity

Type
MolecularComplex
CAS
8003-19-8
EC
Origin
EF 3.1 hybrid_name_cas_v1
Changes
51 across every transformer

Structure

Structure diagram for 1,2-dichloropropane & 1,3-dichloropropene

Alternative labels

9

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string FLWMCWWTXIAPAH-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C3H6Cl2.C3H4Cl2/c1-3(5)2-4;4-2-1-3-5/h3H,2H2,1H3;1-2H,3H2
IUPAC name chemrof:IUPAC_name 1,2-bis(chloranyl)propane;1,3-bis(chloranyl)prop-1-ene, 1,2-dichloropropane;1,3-dichloro-1-propene, 1,2-dichloropropane;1,3-dichloroprop-1-ene
Molecular formula chemrof:molecular_formula C6H10Cl4
Molecular mass chemrof:molecular_mass 223.958
Monoisotopic mass chemrof:monoisotopic_mass 221.953661
SMILES string chemrof:smiles_string CC(CCl)Cl.C(C=CCl)Cl

Known URLs

2

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=8003-19-8 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/73422990 enrich_references.pubchem_compound

Elementary flows

13
Flow Context Source Unit CFs
9b3980d5-b897-4864-8e31-caa4549eeafb Environmental → Air → Aircraft cruise height EF 3.1 kg 2
8b9cbc15-3470-47b9-81fa-055edc9643a2 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
22b7eb3d-5f10-4378-bf75-f1d4f30ad6af Environmental → Air → Indoor EF 3.1 kg 2
ca3fd767-509d-4f49-899b-6c24deba0f02 Environmental → Air → Long-term EF 3.1 kg 0
6b669626-f03a-4437-a81b-aeae1c0604d8 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
06a8fd81-f88c-4981-8911-8722740900f3 Environmental → Air → Unknown EF 3.1 kg 2
dd594661-f117-409b-8781-70e8b400ac88 Environmental → Ground → Agricultural EF 3.1 kg 2
dc27e9af-efbb-4505-87ce-99e76612ff1c Environmental → Ground → Non-agricultural EF 3.1 kg 2
2ffdc62b-1c04-459d-9190-7c37450c2d23 Environmental → Ground → Unknown EF 3.1 kg 2
3bf9faf3-04c1-4ecc-83d1-ef6d9686fb70 Environmental → Water → Long-term EF 3.1 kg 0
88734497-3082-432c-be14-c1af52f28b4e Environmental → Water → Ocean EF 3.1 kg 2
f286569d-27c7-4a32-849f-16dd7ed39adf Environmental → Water → Surface water EF 3.1 kg 2
e2d36f52-0b1f-45e5-942f-fe76e11f61b5 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (51 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-d6c9343d3b9f39b0",
  "prefLabel": [
    {
      "@value": "1,2-dichloropropane & 1,3-dichloropropene",
      "@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-Dichloropropane-1,3-dichloropropene mixt.",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:8003-19-8",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=8003-19-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1-Propene, 1,3-dichloro-, mixt. with 1,2-dichloropropane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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          "CAS:8003-19-8",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=8003-19-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "D-D",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:8003-19-8",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "D-D (pesticide)",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "D-D Soil Fumigant",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "DD Nematocide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Dowfume N",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Propane, 1,2-dichloro-, mixt. contg.",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Vidden D",
      "@language": "en",
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      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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          "https://commonchemistry.cas.org/detail?cas_rn=8003-19-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
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      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C6H10Cl4"
      ],
      "attested_by": {
        "C6H10Cl4": [
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "Molecular formula",
      "provenance": [
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          "prov:hadPrimarySource": [
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          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC(CCl)Cl.C(C=CCl)Cl"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "FLWMCWWTXIAPAH-UHFFFAOYSA-N"
      ],
      "attested_by": {
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        ]
      },
      "rdfs:label": "InChIKey",
      "provenance": [
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        },
        {
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          "prov:hadPrimarySource": [
            "CC(CCl)Cl.C(C=CCl)Cl"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "@value": [
        "CC(CCl)Cl.C(C=CCl)Cl"
      ],
      "attested_by": {
        "CC(CCl)Cl.C(C=CCl)Cl": [
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "SMILES",
      "provenance": [
        {
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          "prov:wasDerivedFrom": "pubchem.props.SMILES"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
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          "prov:hadPrimarySource": [
            "CC(CCl)Cl.C(C=CCl)Cl"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "@value": [
        "InChI=1S/C3H6Cl2.C3H4Cl2/c1-3(5)2-4;4-2-1-3-5/h3H,2H2,1H3;1-2H,3H2"
      ],
      "attested_by": {
        "InChI=1S/C3H6Cl2.C3H4Cl2/c1-3(5)2-4;4-2-1-3-5/h3H,2H2,1H3;1-2H,3H2": [
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "InChI",
      "provenance": [
        {
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        },
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          "prov:hadPrimarySource": [
            "CC(CCl)Cl.C(C=CCl)Cl"
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        }
      ]
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "@value": [
        "1,2-bis(chloranyl)propane;1,3-bis(chloranyl)prop-1-ene",
        "1,2-dichloropropane;1,3-dichloro-1-propene",
        "1,2-dichloropropane;1,3-dichloroprop-1-ene"
      ],
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        "1,2-dichloropropane;1,3-dichloro-1-propene": [
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    },
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      ],
      "provenance": [
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      ],
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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": {
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      "rdfs:label": "Monoisotopic mass",
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          ]
        }
      ],
      "attested_by": {
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          "rdkit_post_consensus",
          "rdkit_pre_consensus"
        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
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  },
  "references": [
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        "prov:wasDerivedFrom": "pubchem.by_cas[8003-19-8]"
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  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "06a8fd81-f88c-4981-8911-8722740900f3",
    "seed_source": "EF 3.1",
    "semantic_typing": {
      "rule": "multi_component_neutral",
      "reason": "",
      "types": [
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      ],
      "provenance": {
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    }
  },
  "classifications": {
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      "rdfs:seeAlso": [
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      ],
      "provenance": {
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  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/MolecularComplex"
  ]
}

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