1-chloro-4-isocyanato-2-(trifluoromethyl) Benzene

← Back to consensus flows

1-chloro-4-isocyanato-2-(trifluoromethyl) Benzene

UUID 96301ed1-0c7e-4003-8c5f-55142f80db43

Deprecated yes

Replaced By 4ddbcd97-7503-4a6c-885a-1d42049b8ef4

Flow Object ID fo-c0848eda59efef07

Source EF 3.1

Context Environmental → Water → Unknown

CAS Numbers 327-78-6

EC Numbers 608-783-6

prefLabel

Language	Value	Provenance
`en`	`1-chloro-4-isocyanato-2-(trifluoromethyl) Benzene`

altLabel ⓘ

Language	Value	Provenance
`en`	`1-Chloro-4-isocyanato-2-(trifluoromethyl)benzene`
`en`	`3-Trifluoromethyl-4-chlorophenyl isocyanate`
`en`	`4-Chloro-1-isocyanato-3-trifluoromethylbenzene`
`en`	`4-Chloro-3-(trifluoromethyl)phenyl isocyanate`
`en`	`4-Chloro-α,α,α-trifluoro-<em>m</em>-tolyl isocyanate`
`en`	`Benzene, 1-chloro-4-isocyanato-2-(trifluoromethyl)-`
`en`	`Isocyanic acid, 4-chloro-α,α,α-trifluoro-<em>m</em>-tolyl ester`

References

Shared Properties

Predicate	Value
InChIKey	`NBJZEUQTGLSUOB-UHFFFAOYSA-N`
InChI	`InChI=1S/C8H3ClF3NO/c9-7-2-1-5(13-4-14)3-6(7)8(10,11)12/h1-3H`
IUPAC name	`1-chloranyl-4-isocyanato-2-(trifluoromethyl)benzene, 1-chloro-4-isocyanato-2-(trifluoromethyl)benzene`
Molecular formula	`C8H3ClF3NO`
SMILES	`C1=CC(=C(C=C1N=C=O)C(F)(F)F)Cl`

Source List References

List	Version	Source Flow UUID	Source Flow Name
EF	3.1	`96301ed1-0c7e-4003-8c5f-55142f80db43`	1-chloro-4-isocyanato-2-(trifluoromethyl) benzene

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=1-chloro-4-isocyanato-2-(trifluoromethyl)benzene\|\|dimension=Environmental > media=Water > water_body=Ocean; cas=327-78-6; added Common Chemistry CAS names as altLabel: 1-Chloro-4-isocyanato-2-(trifluoromethyl)benzene, 3-Trifluoromethyl-4-chlorophenyl isocyanate, 4-Chloro-1-isocyanato-3-trifluoromethylbenzene, 4-Chloro-3-(trifluoromethyl)phenyl isocyanate, 4-Chloro-α,α,α-trifluoro-<em>m</em>-tolyl isocyanate, Benzene, 1-chloro-4-isocyanato-2-(trifluoromethyl)-, Isocyanic acid, 4-chloro-α,α,α-trifluoro-<em>m</em>-tolyl ester; object_uuid=fo-c0848eda59efef07
`cas_match_labels`	1	`—`	consensus_match	group_key=1-chloro-4-isocyanato-2-(trifluoromethyl)benzene\|\|dimension=Environmental > media=Water > water_body=Ocean; group_sources=['pubchem']; cas_sources={'327-78-6': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-c0848eda59efef07: {'327-78-6': 'exactMatch'}

Context Attributes

Attribute	Value
dimension	Environmental
media	Water
water_body	Unknown

Consensus Changes

Field	Old Value	New Value	Comment
`altLabel`	`None`	[{'@value': '1-Chloro-4-isocyanato-2-(trifluoromethyl)benzene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:327-78-6', 'https://commonchemistry.cas.org/detail?cas_rn=327-78-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '3-Trifluoromethyl-4-chlorophenyl isocyanate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:327-78-6', 'https://commonchemistry.cas.org/detail?cas_rn=327-78-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '4-Chloro-1-isocyanato-3-trifluoromethylbenzene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:327-78-6', 'https://commonchemistry.cas.org/detail?cas_rn=327-78-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '4-Chloro-3-(trifluoromethyl)phenyl isocyanate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:327-78-6', 'https://commonchemistry.cas.org/detail?cas_rn=327-78-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '4-Chloro-α,α,α-trifluoro-<em>m</em>-tolyl isocyanate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:327-78-6', 'https://commonchemistry.cas.org/detail?cas_rn=327-78-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Benzene, 1-chloro-4-isocyanato-2-(trifluoromethyl)-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:327-78-6', 'https://commonchemistry.cas.org/detail?cas_rn=327-78-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Isocyanic acid, 4-chloro-α,α,α-trifluoro-<em>m</em>-tolyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:327-78-6', 'https://commonchemistry.cas.org/detail?cas_rn=327-78-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}]	group_key=1-chloro-4-isocyanato-2-(trifluoromethyl)benzene\|\|dimension=Environmental > media=Water > water_body=Ocean; cas=327-78-6; added Common Chemistry CAS names as altLabel: 1-Chloro-4-isocyanato-2-(trifluoromethyl)benzene, 3-Trifluoromethyl-4-chlorophenyl isocyanate, 4-Chloro-1-isocyanato-3-trifluoromethylbenzene, 4-Chloro-3-(trifluoromethyl)phenyl isocyanate, 4-Chloro-α,α,α-trifluoro-<em>m</em>-tolyl isocyanate, Benzene, 1-chloro-4-isocyanato-2-(trifluoromethyl)-, Isocyanic acid, 4-chloro-α,α,α-trifluoro-<em>m</em>-tolyl ester; object_uuid=fo-c0848eda59efef07
`cas_match_labels`	`None`	`{'327-78-6': 'exactMatch'}`	group_key=1-chloro-4-isocyanato-2-(trifluoromethyl)benzene\|\|dimension=Environmental > media=Water > water_body=Ocean; group_sources=['pubchem']; cas_sources={'327-78-6': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-c0848eda59efef07: {'327-78-6': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

{
  "uuid": "96301ed1-0c7e-4003-8c5f-55142f80db43",
  "name": null,
  "cas_numbers": [
    "327-78-6"
  ],
  "ec_numbers": [
    "608-783-6"
  ],
  "context": {
    "dimension": "Environmental",
    "media": "Water",
    "water_body": "Unknown"
  },
  "general_comment": null,
  "synonyms": [],
  "unit": "kg",
  "lcia_methods": [],
  "source": "EF 3.1",
  "identifier": "96301ed1-0c7e-4003-8c5f-55142f80db43",
  "input_datasets": [
    "EF 3.1"
  ],
  "source_refs": [
    {
      "list_name": "EF",
      "list_version": "3.1",
      "source_flow_uuid": "96301ed1-0c7e-4003-8c5f-55142f80db43",
      "source_flow_name": "1-chloro-4-isocyanato-2-(trifluoromethyl) benzene",
      "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 water",
          "Emissions to water, unspecified (long-term)"
        ]
      }
    }
  ],
  "prefLabel": [
    {
      "@value": "1-chloro-4-isocyanato-2-(trifluoromethyl) Benzene",
      "@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-wate-unkn",
  "unit_iri": "https://vocab.brightway.one/units/unit/KiloGM",
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C8H3ClF3NO"
      ],
      "rdfs:label": "Molecular formula",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:2733265"
        ],
        "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
      }
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "NBJZEUQTGLSUOB-UHFFFAOYSA-N"
      ],
      "rdfs:label": "InChIKey",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:2733265"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChIKey"
      }
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "@value": [
        "C1=CC(=C(C=C1N=C=O)C(F)(F)F)Cl"
      ],
      "rdfs:label": "SMILES",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:2733265"
        ],
        "prov:wasDerivedFrom": "pubchem.props.SMILES"
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "@value": [
        "InChI=1S/C8H3ClF3NO/c9-7-2-1-5(13-4-14)3-6(7)8(10,11)12/h1-3H"
      ],
      "rdfs:label": "InChI",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:2733265"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChI"
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "@value": [
        "1-chloranyl-4-isocyanato-2-(trifluoromethyl)benzene",
        "1-chloro-4-isocyanato-2-(trifluoromethyl)benzene"
      ],
      "rdfs:label": "IUPAC name",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:2733265"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers.IUPAC Name"
      }
    }
  },
  "skos:definition": [],
  "references": [
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.820.989D",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:2733265;CAS:327-78-6"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[327-78-6]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.104.453",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:2733265;CAS:327-78-6"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[327-78-6]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.117.647",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:2733265;CAS:327-78-6"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[327-78-6]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=327-78-6",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:2733265;CAS:327-78-6"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[327-78-6]"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID70369818",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:2733265;CAS:327-78-6"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[327-78-6]"
      }
    },
    {
      "@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/6TE36JKP7L",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:2733265;CAS:327-78-6"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[327-78-6]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/2733265",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:2733265;CAS:327-78-6"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[327-78-6]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q72460345",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:2733265;CAS:327-78-6"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[327-78-6]"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1-Chloro-4-isocyanato-2-(trifluoromethyl)benzene",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:327-78-6",
          "https://commonchemistry.cas.org/detail?cas_rn=327-78-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3-Trifluoromethyl-4-chlorophenyl isocyanate",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:327-78-6",
          "https://commonchemistry.cas.org/detail?cas_rn=327-78-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4-Chloro-1-isocyanato-3-trifluoromethylbenzene",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:327-78-6",
          "https://commonchemistry.cas.org/detail?cas_rn=327-78-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4-Chloro-3-(trifluoromethyl)phenyl isocyanate",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:327-78-6",
          "https://commonchemistry.cas.org/detail?cas_rn=327-78-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4-Chloro-α,α,α-trifluoro-<em>m</em>-tolyl isocyanate",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:327-78-6",
          "https://commonchemistry.cas.org/detail?cas_rn=327-78-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzene, 1-chloro-4-isocyanato-2-(trifluoromethyl)-",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:327-78-6",
          "https://commonchemistry.cas.org/detail?cas_rn=327-78-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Isocyanic acid, 4-chloro-α,α,α-trifluoro-<em>m</em>-tolyl ester",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:327-78-6",
          "https://commonchemistry.cas.org/detail?cas_rn=327-78-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "cas_match_labels": {
    "327-78-6": "exactMatch"
  },
  "http://www.w3.org/2002/07/owl#deprecated": true,
  "http://purl.org/dc/terms/isReplacedBy": "urn:uuid:4ddbcd97-7503-4a6c-885a-1d42049b8ef4",
  "is_replaced_by_uuid": "4ddbcd97-7503-4a6c-885a-1d42049b8ef4",
  "flow_object_id": "fo-c0848eda59efef07"
}