Consensus flow list

Identity

Type
Neutral molecule
CAS
18169-57-8
EC
242-053-4
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for Trichloro(isobutyl)silane

Alternative labels

6

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string GBXOGFTVYQSOID-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C4H9Cl3Si/c1-4(2)3-8(5,6)7/h4H,3H2,1-2H3
IUPAC name chemrof:IUPAC_name Trichloro(isobutyl)silane
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 CC(C)C[Si](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=18169-57-8 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.038.216 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID0066329 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/W3G9S6YL5A enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J260.907J enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/87489 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q72510276 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
362a16a9-5032-4eec-9c7d-ad4ce21ab1e6 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
89abe92f-b2ad-4150-b7e3-cb6f707cdef4 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
76e8594e-0b14-47f6-a3c9-e86d017ab3d7 Environmental → Air → Indoor EF 3.1 kg 4
52fa6020-bef3-4777-91f1-195dc419a6d0 Environmental → Air → Long-term EF 3.1 kg 0
fb594d21-71da-45f6-b7f3-e610865bf3db Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
64a7fa79-0893-4170-8529-e5d388569c77 Environmental → Air → Unknown EF 3.1 kg 4
aeef2b01-f677-4085-8be2-ef9557d36777 Environmental → Ground → Agricultural EF 3.1 kg 4
6d88da03-d7e2-4d06-b939-61eefef74a4c Environmental → Ground → Non-agricultural EF 3.1 kg 4
e806a763-3956-49d6-87ac-9cef04bffdff Environmental → Ground → Unknown EF 3.1 kg 4
0d94e847-7d06-47c8-bf12-40c7a089c448 Environmental → Water → Long-term EF 3.1 kg 0
22635bd2-fbc8-4a9b-a19f-14c0f8da53ee Environmental → Water → Ocean EF 3.1 kg 4
386e2a8e-0426-46b9-92f8-2de35369c2ae Environmental → Water → Surface water EF 3.1 kg 4
c8f0d5dc-dcea-4a6f-949e-216fdbcfd6b7 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-e6b64bf75a0be05b",
  "prefLabel": [
    {
      "@value": "Trichloro(isobutyl)silane",
      "@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-Methylpropyl)trichlorosilane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=18169-57-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Isobutyltrichlorosilane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "CAS:18169-57-8",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=18169-57-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Silane, trichloro(2-methylpropyl)-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Silane, trichloroisobutyl-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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          "https://commonchemistry.cas.org/detail?cas_rn=18169-57-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Trichloro(2-methylpropyl)silane",
      "@language": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Trichloroisobutylsilane",
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        ],
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      }
    }
  ],
  "properties": {
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      "@value": [
        "C4H9Cl3Si"
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      "attested_by": {
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    },
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      "rdfs:label": "InChIKey",
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    },
    "https://w3id.org/chemrof/smiles_string": {
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      "rdfs:label": "SMILES",
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      ],
      "provenance": [
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          ]
        },
        {
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          "prov:wasAttributedTo": "consensus-flow-list",
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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",
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      ],
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        },
        {
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          "prov:hadPrimarySource": [
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          ]
        }
      ],
      "attested_by": {
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          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
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      },
      "attested_by": {
        "Trichloro(isobutyl)silane": [
          "opsin_iupac"
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      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "rdfs:label": "Molecular mass",
      "@value": [
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      ],
      "provenance": [
        {
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          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
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          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC(C)C[Si](Cl)(Cl)Cl"
          ]
        }
      ],
      "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": [
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      ],
      "provenance": [
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        },
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        }
      ],
      "attested_by": {
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        ]
      },
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    }
  },
  "references": [
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  ],
  "created_from": {
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    "seed_uuid": "0d94e847-7d06-47c8-bf12-40c7a089c448",
    "seed_source": "EF 3.1",
    "semantic_typing": {
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  "classifications": {
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  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

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