← Back to consensus flows

Trichloro(isobutyl)silane

UUID fb594d21-71da-45f6-b7f3-e610865bf3db
Flow Object IDfo-e6b64bf75a0be05b
Source EF 3.1
Context Environmental → Air → High stack, >150 meters
CAS Numbers 18169-57-8
EC Numbers 242-053-4
prefLabel
Language Value Provenance
en Trichloro(isobutyl)silane
altLabel
Language Value Provenance
en (2-Methylpropyl)trichlorosilane
en Isobutyltrichlorosilane
en Silane, trichloro(2-methylpropyl)-
en Silane, trichloroisobutyl-
en Trichloro(2-methylpropyl)silane
en Trichloroisobutylsilane
References
Shared Properties
Predicate Value
InChIKey GBXOGFTVYQSOID-UHFFFAOYSA-N, XDWNZEIQFVEAOU-UHFFFAOYSA-N
InChI InChI=1S/C13H14N6O2/c1-6(20)8-3-9(7(2)21)5-10(4-8)16-13-18-11(14)17-12(15)19-13/h3-5H,1-2H3,(H5,14,15,16,17,18,19), InChI=1S/C4H9Cl3Si/c1-4(2)3-8(5,6)7/h4H,3H2,1-2H3
IUPAC name 1-[3-[[4,6-bis(azanyl)-1,3,5-triazin-2-yl]amino]-5-ethanoyl-phenyl]ethanone, 1-[3-acetyl-5-[(4,6-diamino-1,3,5-triazin-2-yl)amino]phenyl]ethanone, 1-[3-acetyl-5-[(4,6-diamino-s-triazin-2-yl)amino]phenyl]ethanone, trichloro(2-methylpropyl)silane, trichloro(isobutyl)silane, tris(chloranyl)-(2-methylpropyl)silane
Molecular formula C13H14N6O2, C4H9Cl3Si
SMILES CC(=O)C1=CC(=CC(=C1)NC2=NC(=NC(=N2)N)N)C(=O)C, CC(C)C[Si](Cl)(Cl)Cl

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 fb594d21-71da-45f6-b7f3-e610865bf3db trichloro(isobutyl)silane

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 trichloro(isobutyl)silane Emissions/Emissions to air/Emissions to non-urban air or from high stacks kg exactMatch

Consolidated Field Provenance

0 total PROV activity record(s) for this flow.

Field Change Count Latest Time Transformers Latest Comment
altLabel 1 consensus_match group_key=trichloro(isobutyl)silane||dimension=Environmental > media=Water > water_body=Unknown; cas=18169-57-8; added Common Chemistry CAS names as altLabel: (2-Methylpropyl)trichlorosilane, Isobutyltrichlorosilane, Silane, trichloro(2-methylpropyl)-, Silane, trichloroisobutyl-, Trichloro(2-methylpropyl)silane, Trichloroisobutylsilane; object_uuid=fo-e6b64bf75a0be05b
cas_match_labels 1 consensus_match group_key=trichloro(isobutyl)silane||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'18169-57-8': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-e6b64bf75a0be05b: {'18169-57-8': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaAir
strataHigh stack, >150 meters

Consensus Changes

Field Old Value New Value Comment
altLabel None [{'@value': '(2-Methylpropyl)trichlorosilane', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:18169-57-8', 'https://commonchemistry.cas.org/detail?cas_rn=18169-57-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Isobutyltrichlorosilane', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:18169-57-8', 'https://commonchemistry.cas.org/detail?cas_rn=18169-57-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Silane, trichloro(2-methylpropyl)-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:18169-57-8', 'https://commonchemistry.cas.org/detail?cas_rn=18169-57-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Silane, trichloroisobutyl-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:18169-57-8', 'https://commonchemistry.cas.org/detail?cas_rn=18169-57-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Trichloro(2-methylpropyl)silane', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:18169-57-8', 'https://commonchemistry.cas.org/detail?cas_rn=18169-57-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Trichloroisobutylsilane', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:18169-57-8', 'https://commonchemistry.cas.org/detail?cas_rn=18169-57-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=trichloro(isobutyl)silane||dimension=Environmental > media=Water > water_body=Unknown; cas=18169-57-8; added Common Chemistry CAS names as altLabel: (2-Methylpropyl)trichlorosilane, Isobutyltrichlorosilane, Silane, trichloro(2-methylpropyl)-, Silane, trichloroisobutyl-, Trichloro(2-methylpropyl)silane, Trichloroisobutylsilane; object_uuid=fo-e6b64bf75a0be05b
cas_match_labels None {'18169-57-8': 'exactMatch'} group_key=trichloro(isobutyl)silane||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'18169-57-8': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-e6b64bf75a0be05b: {'18169-57-8': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

{
  "uuid": "fb594d21-71da-45f6-b7f3-e610865bf3db",
  "name": null,
  "cas_numbers": [
    "18169-57-8"
  ],
  "ec_numbers": [
    "242-053-4"
  ],
  "context": {
    "dimension": "Environmental",
    "media": "Air",
    "strata": "High stack, >150 meters"
  },
  "general_comment": null,
  "synonyms": [],
  "unit": "kg",
  "lcia_methods": [
    {
      "method_uuid": "05316e7a-b254-4bea-9cf0-6bf33eb5c630",
      "name": "Ecotoxicity, freshwater",
      "methodology": "Environmental Footprint",
      "impact_category": "Aquatic eco-toxicity",
      "impact_indicator": "Comparative Toxic Unit for ecosystems (CTUe) ",
      "characterization_factor": 8.224
    },
    {
      "method_uuid": "7cfdcfcf-b222-4b26-888a-a55f9fbf7ac8",
      "name": "Human toxicity, non-cancer",
      "methodology": "Environmental Footprint",
      "impact_category": "Non-cancer human health effects",
      "impact_indicator": "Comparative Toxic Unit for human (CTUh)",
      "characterization_factor": 3.1157e-7
    },
    {
      "method_uuid": "8c3141e9-1f15-43b5-bff2-182e49893a46",
      "name": "Human toxicity, non-cancer_organics",
      "methodology": "Environmental Footprint",
      "impact_category": "Non-cancer human health effects",
      "impact_indicator": "Comparative Toxic Unit for human (CTUh)",
      "characterization_factor": 3.1157e-7
    },
    {
      "method_uuid": "fd530f00-9325-424a-92ef-aaac67922fd9",
      "name": "Ecotoxicity, freshwater_organics",
      "methodology": "Environmental Footprint",
      "impact_category": "Aquatic eco-toxicity",
      "impact_indicator": "Comparative Toxic Unit for ecosystems (CTUe) ",
      "characterization_factor": 8.224
    }
  ],
  "source": "EF 3.1",
  "identifier": "fb594d21-71da-45f6-b7f3-e610865bf3db",
  "input_datasets": [
    "EF 3.1"
  ],
  "source_refs": [
    {
      "list_name": "EF",
      "list_version": "3.1",
      "source_flow_uuid": "fb594d21-71da-45f6-b7f3-e610865bf3db",
      "source_flow_name": "trichloro(isobutyl)silane",
      "source_metadata": {
        "input_file": "/home/cmutel/.local/share/consensus-flow-list/ef-31-flows.json",
        "input_dataset": "EF 3.1",
        "original_context": [
          "Emissions",
          "Emissions to air",
          "Emissions to non-urban air or from high stacks"
        ]
      }
    }
  ],
  "prefLabel": [
    {
      "@value": "Trichloro(isobutyl)silane",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "_sources": {
    "prefLabel": "normalize_name_case",
    "name": "bootstrap_labels",
    "synonyms": "bootstrap_labels",
    "context": "default_context_mapping",
    "context_iri": "default_context_mapping",
    "unit_iri": "unit_normalization",
    "properties": "enrich_references",
    "skos:definition": "enrich_references",
    "references": "enrich_references",
    "altLabel": "consensus_match",
    "cas_match_labels": "consensus_match"
  },
  "context_iri": "https://vocab.brightway.one/flow-contexts/envi-air-hist15me",
  "unit_iri": "https://vocab.brightway.one/units/unit/KiloGM",
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C13H14N6O2",
        "C4H9Cl3Si"
      ],
      "rdfs:label": "Molecular formula",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:87489",
          "CID:484324"
        ],
        "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
      }
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "GBXOGFTVYQSOID-UHFFFAOYSA-N",
        "XDWNZEIQFVEAOU-UHFFFAOYSA-N"
      ],
      "rdfs:label": "InChIKey",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:87489",
          "CID:484324"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChIKey"
      }
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "@value": [
        "CC(=O)C1=CC(=CC(=C1)NC2=NC(=NC(=N2)N)N)C(=O)C",
        "CC(C)C[Si](Cl)(Cl)Cl"
      ],
      "rdfs:label": "SMILES",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:87489",
          "CID:484324"
        ],
        "prov:wasDerivedFrom": "pubchem.props.SMILES"
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "@value": [
        "InChI=1S/C13H14N6O2/c1-6(20)8-3-9(7(2)21)5-10(4-8)16-13-18-11(14)17-12(15)19-13/h3-5H,1-2H3,(H5,14,15,16,17,18,19)",
        "InChI=1S/C4H9Cl3Si/c1-4(2)3-8(5,6)7/h4H,3H2,1-2H3"
      ],
      "rdfs:label": "InChI",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:87489",
          "CID:484324"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChI"
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "@value": [
        "1-[3-[[4,6-bis(azanyl)-1,3,5-triazin-2-yl]amino]-5-ethanoyl-phenyl]ethanone",
        "1-[3-acetyl-5-[(4,6-diamino-1,3,5-triazin-2-yl)amino]phenyl]ethanone",
        "1-[3-acetyl-5-[(4,6-diamino-s-triazin-2-yl)amino]phenyl]ethanone",
        "trichloro(2-methylpropyl)silane",
        "trichloro(isobutyl)silane",
        "tris(chloranyl)-(2-methylpropyl)silane"
      ],
      "rdfs:label": "IUPAC name",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:87489",
          "CID:484324"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers.IUPAC Name"
      }
    }
  },
  "skos:definition": [],
  "references": [
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J260.907J",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:87489;CAS:18169-57-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[18169-57-8]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.038.216",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:87489;CAS:18169-57-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[18169-57-8]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=18169-57-8",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "18169-57-8"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID00171007",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:484324;CAS:18169-57-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[18169-57-8]"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID0066329",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:87489;CAS:18169-57-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[18169-57-8]"
      }
    },
    {
      "@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/W3G9S6YL5A",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:87489;CAS:18169-57-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[18169-57-8]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/484324",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:484324;CAS:18169-57-8"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[18169-57-8]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/87489",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:87489;CAS:18169-57-8"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[18169-57-8]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=105882",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:484324;CAS:18169-57-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[18169-57-8]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q72510276",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:87489;CAS:18169-57-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[18169-57-8]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q83041038",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:484324;CAS:18169-57-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[18169-57-8]"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "(2-Methylpropyl)trichlorosilane",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:18169-57-8",
          "https://commonchemistry.cas.org/detail?cas_rn=18169-57-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Isobutyltrichlorosilane",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:18169-57-8",
          "https://commonchemistry.cas.org/detail?cas_rn=18169-57-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Silane, trichloro(2-methylpropyl)-",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:18169-57-8",
          "https://commonchemistry.cas.org/detail?cas_rn=18169-57-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Silane, trichloroisobutyl-",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:18169-57-8",
          "https://commonchemistry.cas.org/detail?cas_rn=18169-57-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Trichloro(2-methylpropyl)silane",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:18169-57-8",
          "https://commonchemistry.cas.org/detail?cas_rn=18169-57-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Trichloroisobutylsilane",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:18169-57-8",
          "https://commonchemistry.cas.org/detail?cas_rn=18169-57-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "cas_match_labels": {
    "18169-57-8": "exactMatch"
  },
  "concept_associations": [
    {
      "@type": "xkos:ConceptAssociation",
      "xkos:sourceConcept": {
        "@id": "https://vocab.brightway.one/ef/3.1/flow/fb594d21-71da-45f6-b7f3-e610865bf3db",
        "skos:prefLabel": "trichloro(isobutyl)silane",
        "context": "Emissions/Emissions to air/Emissions to non-urban air or from high stacks",
        "qudt:unit": "kg"
      },
      "xkos:targetConcept": {
        "@id": "https://vocab.brightway.dev/elementary-flows/fb594d21-71da-45f6-b7f3-e610865bf3db"
      },
      "xkos:mapType": {
        "@id": "http://www.w3.org/2004/02/skos/core#exactMatch"
      },
      "provenance": {
        "prov:wasGeneratedBy": "build_concept_associations",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "https://eplca.jrc.ec.europa.eu/permalink/EF3_1/EF-v3.1.zip"
        ]
      }
    }
  ],
  "flow_object_id": "fo-e6b64bf75a0be05b"
}