Brightway Flows 1.0
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Identity

Type
Neutral molecule
CAS
993-16-8
EC
213-608-8
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for Trichloromethylstannane

Alternative labels

6

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string YFRLQYJXUZRYDN-UHFFFAOYSA-K
InChI2D string chemrof:inchi2d_string InChI=1S/CH3.3ClH.Sn/h1H3;3*1H;/q;;;;+3/p-3
IUPAC name chemrof:IUPAC_name Methyltin trichloride
Molecular formula chemrof:molecular_formula CH3Cl3Sn
Molecular mass chemrof:molecular_mass 240.105
Monoisotopic mass chemrof:monoisotopic_mass 239.832228
SMILES string chemrof:smiles_string [CH3][Sn]([Cl])([Cl])[Cl]

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=993-16-8 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.012.371 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID1027346 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/Q2E6V14U06 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/101940 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/92135235 enrich_references.pubchem_compound
Wikidata https://www.wikidata.org/wiki/Q20054533 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
16b5b44f-fb03-445d-98b3-7fb220aa394d Environmental → Air → Aircraft cruise height EF 3.1 kg 2
300ae3dd-bde2-4eed-aa96-ca6499ce8884 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
db9ce6aa-9641-4afd-9839-1e733facea21 Environmental → Air → Indoor EF 3.1 kg 2
7deb82e1-992f-435b-b8f9-540cc963051a Environmental → Air → Long-term EF 3.1 kg 0
a10a1fbc-f040-4065-9049-2bee9fbeb944 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
68fea575-520b-4517-aa9e-00785eb2e4ae Environmental → Air → Unknown EF 3.1 kg 2
0f614217-f032-4ad3-b4ef-38f1e0643510 Environmental → Ground → Agricultural EF 3.1 kg 2
01f64ad3-74fd-4e0f-9ffa-43c076664c76 Environmental → Ground → Non-agricultural EF 3.1 kg 2
8f05e989-530a-4548-b3ee-8abcc7193841 Environmental → Ground → Unknown EF 3.1 kg 2
873b893b-fc40-4905-a647-1a68254049bc Environmental → Water → Long-term EF 3.1 kg 0
9dc1abee-a65d-4927-a174-cd098262b581 Environmental → Water → Ocean EF 3.1 kg 2
1a852811-51cd-401e-a158-42ad3b37bb03 Environmental → Water → Surface water EF 3.1 kg 2
e58aa507-f9bc-4752-9e23-f50b9bba0b81 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-3a964e0ef3c88afa",
  "prefLabel": [
    {
      "@value": "Trichloromethylstannane",
      "@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": "Methyltin trichloride",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:993-16-8",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=993-16-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Methyltrichlorostannane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:993-16-8",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=993-16-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Methyltrichlorotin",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:993-16-8",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=993-16-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Monomethyltin trichloride",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:993-16-8",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=993-16-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Stannane, trichloromethyl-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:993-16-8",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=993-16-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Trichloromethyltin",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=993-16-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "CH3Cl3Sn"
      ],
      "attested_by": {
        "CH3Cl3Sn": [
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "Molecular formula",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
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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": [
            "[CH3][Sn]([Cl])([Cl])[Cl]"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "YFRLQYJXUZRYDN-UHFFFAOYSA-K"
      ],
      "attested_by": {
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          "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:101940",
            "CID:92135235"
          ],
          "prov:wasDerivedFrom": "pubchem.props.InChIKey"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "[CH3][Sn]([Cl])([Cl])[Cl]"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
        "[CH3][Sn]([Cl])([Cl])[Cl]"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Methyltin trichloride"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "[CH3][Sn]([Cl])([Cl])[Cl]"
          ]
        }
      ],
      "attested_by": {
        "[CH3][Sn]([Cl])([Cl])[Cl]": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/CH3.3ClH.Sn/h1H3;3*1H;/q;;;;+3/p-3"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Methyltin trichloride"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "[CH3][Sn]([Cl])([Cl])[Cl]"
          ]
        }
      ],
      "attested_by": {
        "InChI=1S/CH3.3ClH.Sn/h1H3;3*1H;/q;;;;+3/p-3": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
      "@value": [
        "Methyltin trichloride"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "opsin_iupac",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "Methyltin trichloride"
        ]
      },
      "attested_by": {
        "Methyltin trichloride": [
          "opsin_iupac"
        ]
      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "rdfs:label": "Molecular mass",
      "@value": [
        240.105
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C[Sn+3].[Cl-].[Cl-].[Cl-]"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "[CH3][Sn]([Cl])([Cl])[Cl]"
          ]
        }
      ],
      "attested_by": {
        "240.105": [
          "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": [
        239.832228
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C[Sn+3].[Cl-].[Cl-].[Cl-]"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "[CH3][Sn]([Cl])([Cl])[Cl]"
          ]
        }
      ],
      "attested_by": {
        "239.832228": [
          "rdkit_post_consensus",
          "rdkit_pre_consensus"
        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    }
  },
  "references": [
    {
      "@id": "https://chem.echa.europa.eu/100.012.371",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:101940;CAS:993-16-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[993-16-8]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=993-16-8",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[993-16-8]"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID1027346",
      "provenance": {
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        "prov:hadPrimarySource": [
          "CID:101940;CAS:993-16-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[993-16-8]"
      }
    },
    {
      "@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/Q2E6V14U06",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:101940;CAS:993-16-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[993-16-8]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/101940",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[993-16-8]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/92135235",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:92135235;CAS:993-16-8"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[993-16-8]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q20054533",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
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        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[993-16-8]"
      }
    }
  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "01f64ad3-74fd-4e0f-9ffa-43c076664c76",
    "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": [
        "993-16-8"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=993-16-8"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=993-16-8"
        }
      ],
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "cas_numbers"
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    "http://semanticscience.org/resource/CHEMINF_000447": {
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      ],
      "provenance": {
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        "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"
  ]
}

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