Brightway Flows 1.0
GitHub

Dichloro(3-chloropropyl)methylsilane

fo-552aecf05f214041

Identity

Type
Neutral molecule
CAS
7787-93-1
EC
232-136-3
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for Dichloro(3-chloropropyl)methylsilane

Alternative labels

4

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string UCJHMXXKIKBHQP-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C4H9Cl3Si/c1-8(6,7)4-2-3-5/h2-4H2,1H3
IUPAC name chemrof:IUPAC_name Dichloro(3-chloropropyl)methylsilane
Molecular formula chemrof:molecular_formula C4H9Cl3Si
Molecular mass chemrof:molecular_mass 191.561
Monoisotopic mass chemrof:monoisotopic_mass 189.95391
SMILES string chemrof:smiles_string C[Si](Cl)(Cl)CCCCl

Known URLs

7

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=7787-93-1 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.029.215 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID8064856 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/F97EI2HMA6 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J208.463E enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/82235 enrich_references.pubchem_compound
Wikidata https://www.wikidata.org/wiki/Q72458058 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
9c1d8015-f8d4-4c4f-ba7e-bea6d682c3dc Environmental → Air → Aircraft cruise height EF 3.1 kg 4
bc52db0d-b7ac-4257-97c9-ce68e5627954 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
5aae8bb2-2429-4789-965a-5953062d922c Environmental → Air → Indoor EF 3.1 kg 4
59fc13f4-c980-4e4c-853c-b2e355a03de7 Environmental → Air → Long-term EF 3.1 kg 0
46c37297-227a-48fa-84fa-aa064b2798c4 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
785e6b9f-270f-4492-a77c-3052ebf8e107 Environmental → Air → Unknown EF 3.1 kg 4
a95a8856-3df4-4108-85f3-c9ef93e27ea8 Environmental → Ground → Agricultural EF 3.1 kg 4
e5f0d637-a2eb-4ff7-a41e-86e4365ae967 Environmental → Ground → Non-agricultural EF 3.1 kg 4
11a35565-3d13-4612-8297-3335ff682e5c Environmental → Ground → Unknown EF 3.1 kg 4
d6626520-9fcf-41aa-8003-173139ebbedf Environmental → Water → Long-term EF 3.1 kg 0
22d21d70-6f4c-4ac6-bb43-61d3b550a744 Environmental → Water → Ocean EF 3.1 kg 4
5b2e755b-49ce-4232-90d0-943f96650cc8 Environmental → Water → Surface water EF 3.1 kg 4
97559a43-e7bc-4055-9c76-a32a62c13a06 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-552aecf05f214041",
  "prefLabel": [
    {
      "@value": "Dichloro(3-chloropropyl)methylsilane",
      "@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": "3-Chloropropyldichloromethylsilane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:7787-93-1",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=7787-93-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3-Chloropropylmethyldichlorosilane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:7787-93-1",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=7787-93-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Silane, dichloro(3-chloropropyl)methyl-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:7787-93-1",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=7787-93-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "γ-Chloropropylmethyldichlorosilane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:7787-93-1",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=7787-93-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C4H9Cl3Si"
      ],
      "attested_by": {
        "C4H9Cl3Si": [
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "Molecular formula",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:82235"
          ],
          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C[Si](Cl)(Cl)CCCCl"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "UCJHMXXKIKBHQP-UHFFFAOYSA-N"
      ],
      "attested_by": {
        "UCJHMXXKIKBHQP-UHFFFAOYSA-N": [
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "InChIKey",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:82235"
          ],
          "prov:wasDerivedFrom": "pubchem.props.InChIKey"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C[Si](Cl)(Cl)CCCCl"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
        "C[Si](Cl)(Cl)CCCCl"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Dichloro(3-chloropropyl)methylsilane"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C[Si](Cl)(Cl)CCCCl"
          ]
        }
      ],
      "attested_by": {
        "C[Si](Cl)(Cl)CCCCl": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/C4H9Cl3Si/c1-8(6,7)4-2-3-5/h2-4H2,1H3"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Dichloro(3-chloropropyl)methylsilane"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C[Si](Cl)(Cl)CCCCl"
          ]
        }
      ],
      "attested_by": {
        "InChI=1S/C4H9Cl3Si/c1-8(6,7)4-2-3-5/h2-4H2,1H3": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
      "@value": [
        "Dichloro(3-chloropropyl)methylsilane"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "opsin_iupac",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "Dichloro(3-chloropropyl)methylsilane"
        ]
      },
      "attested_by": {
        "Dichloro(3-chloropropyl)methylsilane": [
          "opsin_iupac"
        ]
      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "rdfs:label": "Molecular mass",
      "@value": [
        191.561
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C[Si](CCCCl)(Cl)Cl"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C[Si](Cl)(Cl)CCCCl"
          ]
        }
      ],
      "attested_by": {
        "191.561": [
          "rdkit_post_consensus",
          "rdkit_pre_consensus"
        ]
      },
      "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": [
        189.95391
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C[Si](CCCCl)(Cl)Cl"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C[Si](Cl)(Cl)CCCCl"
          ]
        }
      ],
      "attested_by": {
        "189.95391": [
          "rdkit_post_consensus",
          "rdkit_pre_consensus"
        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    }
  },
  "references": [
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J208.463E",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:82235;CAS:7787-93-1"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[7787-93-1]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.029.215",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:82235;CAS:7787-93-1"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[7787-93-1]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=7787-93-1",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "7787-93-1"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID8064856",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:82235;CAS:7787-93-1"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[7787-93-1]"
      }
    },
    {
      "@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/F97EI2HMA6",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:82235;CAS:7787-93-1"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[7787-93-1]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/82235",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:82235;CAS:7787-93-1"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[7787-93-1]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q72458058",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:82235;CAS:7787-93-1"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[7787-93-1]"
      }
    }
  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "11a35565-3d13-4612-8297-3335ff682e5c",
    "seed_source": "EF 3.1",
    "semantic_typing": {
      "rule": "neutral_molecule",
      "reason": "",
      "types": [
        "https://w3id.org/chemrof/NeutralMolecule"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "semantic_typing.classify",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:wasDerivedFrom": "semantic_typing.rule.neutral_molecule"
      }
    }
  },
  "classifications": {
    "http://semanticscience.org/resource/CHEMINF_000446": {
      "@value": [
        "7787-93-1"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=7787-93-1"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=7787-93-1"
        }
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    "http://semanticscience.org/resource/CHEMINF_000447": {
      "@value": [
        "232-136-3"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=232-136-3"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "ec_numbers"
      }
    }
  },
  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

Something wrong here?

You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works

Keyboard

?
Show or hide this map
/
Focus search
Esc
Close