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Thionyl Chloride

2D structure
UUID e5f860da-0334-4be0-b6ae-969341e05a58
Flow Object IDfo-160a30a18d7020df
Source ecoinvent-3.12
Context Environmental → Air → Ground level → Unknown
CAS Numbers 7719-09-7
EC Numbers 231-748-8
prefLabel
Language Value Provenance
en Thionyl Chloride
altLabel ⓘ
Language Value Provenance
en SOCl2
en Sulfinyl chloride
en Sulfinyl dichloride
en Sulfur chloride oxide
en Sulfur oxychloride
en Sulfurous oxychloride
en [SCl2O]
en dichloridooxidosulfur
en sulfur dichloride oxide
en sulfurous dichloride
en thionyl dichloride
en Sulfur chloride oxide (Cl<sub>2</sub>SO)
en Sulfur chloride oxide (SCl<sub>2</sub>O)
en Sulfur oxychloride (SOCl<sub>2</sub>)
en Thionyl chloride (SOCl<sub>2</sub>)
Definitions
Language Value Provenance
en A sulfinyl halide in which both of the halide atoms are chorines.
References
Shared Properties
Predicate Value
Formal charge 0
InChIKey FYSNRJHAOHDILO-UHFFFAOYSA-N
InChI InChI=1S/Cl2OS/c1-4(2)3
Molecular formula Cl2OS
Molecular mass 118.972
Monoisotopic mass 117.90469, 117.904691
SMILES O=S(Cl)Cl

Source List References

List Version Source Flow UUID Source Flow Name
ecoinvent 3.12 e5f860da-0334-4be0-b6ae-969341e05a58 Thionyl chloride
ecoinvent 3.12 e5f860da-0334-4be0-b6ae-969341e05a58 Thionyl chloride

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
https://vocab.brightway.one/ecoinvent/3.12/flow/e5f860da-0334-4be0-b6ae-969341e05a58 Thionyl chloride air / unspecified kg closeMatch —

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=thionylchloride||dimension=Environmental > media=Air > strata=Ground level > population_density=Unknown; cas=7719-09-7; added Common Chemistry CAS names as altLabel: Sulfur chloride oxide (Cl<sub>2</sub>SO), Sulfur chloride oxide (SCl<sub>2</sub>O), Sulfur oxychloride (SOCl<sub>2</sub>), Thionyl chloride (SOCl<sub>2</sub>); object_uuid=fo-160a30a18d7020df
cas_match_labels 1 — consensus_match group_key=thionylchloride||dimension=Environmental > media=Air > strata=Ground level > population_density=Unknown; group_sources=['chebi', 'ec_inventory']; cas_sources={'7719-09-7': ['chebi', 'ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-160a30a18d7020df: {'7719-09-7': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaAir
strataGround level
population_densityUnknown

Consensus Changes

Field Old Value New Value Comment
altLabel [{'@value': 'SOCl2', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:SOCl2', 'http://purl.obolibrary.org/obo/CHEBI_29290', 'ecoinvent-3.12'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Sulfinyl chloride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Sulfinyl chloride', 'http://purl.obolibrary.org/obo/CHEBI_29290', 'ecoinvent-3.12'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Sulfinyl dichloride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Sulfinyl dichloride', 'http://purl.obolibrary.org/obo/CHEBI_29290', 'ecoinvent-3.12'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Sulfur chloride oxide', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Sulfur chloride oxide', 'http://purl.obolibrary.org/obo/CHEBI_29290', 'ecoinvent-3.12'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Sulfur oxychloride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Sulfur oxychloride', 'http://purl.obolibrary.org/obo/CHEBI_29290', 'ecoinvent-3.12'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Sulfurous oxychloride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Sulfurous oxychloride', 'http://purl.obolibrary.org/obo/CHEBI_29290', 'ecoinvent-3.12'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '[SCl2O]', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:[SCl2O]', 'http://purl.obolibrary.org/obo/CHEBI_29290', 'ecoinvent-3.12'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'dichloridooxidosulfur', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:dichloridooxidosulfur', 'http://purl.obolibrary.org/obo/CHEBI_29290', 'ecoinvent-3.12'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'sulfur dichloride oxide', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:sulfur dichloride oxide', 'http://purl.obolibrary.org/obo/CHEBI_29290', 'ecoinvent-3.12'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'sulfurous dichloride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:sulfurous dichloride', 'http://purl.obolibrary.org/obo/CHEBI_29290', 'ecoinvent-3.12'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'thionyl dichloride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:thionyl dichloride', 'http://purl.obolibrary.org/obo/CHEBI_29290', 'ecoinvent-3.12'], 'prov:wasDerivedFrom': 'chebi synonym match'}}] [{'@value': 'SOCl2', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:SOCl2', 'http://purl.obolibrary.org/obo/CHEBI_29290', 'ecoinvent-3.12'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Sulfinyl chloride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Sulfinyl chloride', 'http://purl.obolibrary.org/obo/CHEBI_29290', 'ecoinvent-3.12'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Sulfinyl dichloride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Sulfinyl dichloride', 'http://purl.obolibrary.org/obo/CHEBI_29290', 'ecoinvent-3.12'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Sulfur chloride oxide', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Sulfur chloride oxide', 'http://purl.obolibrary.org/obo/CHEBI_29290', 'ecoinvent-3.12'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Sulfur oxychloride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Sulfur oxychloride', 'http://purl.obolibrary.org/obo/CHEBI_29290', 'ecoinvent-3.12'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Sulfurous oxychloride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Sulfurous oxychloride', 'http://purl.obolibrary.org/obo/CHEBI_29290', 'ecoinvent-3.12'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '[SCl2O]', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:[SCl2O]', 'http://purl.obolibrary.org/obo/CHEBI_29290', 'ecoinvent-3.12'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'dichloridooxidosulfur', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:dichloridooxidosulfur', 'http://purl.obolibrary.org/obo/CHEBI_29290', 'ecoinvent-3.12'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'sulfur dichloride oxide', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:sulfur dichloride oxide', 'http://purl.obolibrary.org/obo/CHEBI_29290', 'ecoinvent-3.12'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'sulfurous dichloride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:sulfurous dichloride', 'http://purl.obolibrary.org/obo/CHEBI_29290', 'ecoinvent-3.12'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'thionyl dichloride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:thionyl dichloride', 'http://purl.obolibrary.org/obo/CHEBI_29290', 'ecoinvent-3.12'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Sulfur chloride oxide (Cl<sub>2</sub>SO)', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:7719-09-7', 'https://commonchemistry.cas.org/detail?cas_rn=7719-09-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Sulfur chloride oxide (SCl<sub>2</sub>O)', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:7719-09-7', 'https://commonchemistry.cas.org/detail?cas_rn=7719-09-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Sulfur oxychloride (SOCl<sub>2</sub>)', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:7719-09-7', 'https://commonchemistry.cas.org/detail?cas_rn=7719-09-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Thionyl chloride (SOCl<sub>2</sub>)', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:7719-09-7', 'https://commonchemistry.cas.org/detail?cas_rn=7719-09-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=thionylchloride||dimension=Environmental > media=Air > strata=Ground level > population_density=Unknown; cas=7719-09-7; added Common Chemistry CAS names as altLabel: Sulfur chloride oxide (Cl<sub>2</sub>SO), Sulfur chloride oxide (SCl<sub>2</sub>O), Sulfur oxychloride (SOCl<sub>2</sub>), Thionyl chloride (SOCl<sub>2</sub>); object_uuid=fo-160a30a18d7020df
cas_match_labels None {'7719-09-7': 'exactMatch'} group_key=thionylchloride||dimension=Environmental > media=Air > strata=Ground level > population_density=Unknown; group_sources=['chebi', 'ec_inventory']; cas_sources={'7719-09-7': ['chebi', 'ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-160a30a18d7020df: {'7719-09-7': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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  "unit": "kg",
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  "cas_numbers": [
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  "ec_numbers": [
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  "synonyms": [],
  "lcia_methods": [],
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    "altLabel": "consensus_match",
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  "altLabel": [
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      "@value": "SOCl2",
      "@language": "en",
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      }
    },
    {
      "@value": "Sulfinyl chloride",
      "@language": "en",
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        ],
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      }
    },
    {
      "@value": "Sulfinyl dichloride",
      "@language": "en",
      "source": {
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        ],
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      }
    },
    {
      "@value": "Sulfur chloride oxide",
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      "source": {
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        ],
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      }
    },
    {
      "@value": "Sulfur oxychloride",
      "@language": "en",
      "source": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Sulfurous oxychloride",
      "@language": "en",
      "source": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "[SCl2O]",
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      "source": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "ecoinvent-3.12"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "dichloridooxidosulfur",
      "@language": "en",
      "source": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "sulfur dichloride oxide",
      "@language": "en",
      "source": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "sulfurous dichloride",
      "@language": "en",
      "source": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "thionyl dichloride",
      "@language": "en",
      "source": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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      }
    },
    {
      "@value": "Sulfur chloride oxide (Cl<sub>2</sub>SO)",
      "@language": "en",
      "source": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Sulfur chloride oxide (SCl<sub>2</sub>O)",
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        ],
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      }
    },
    {
      "@value": "Sulfur oxychloride (SOCl<sub>2</sub>)",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Thionyl chloride (SOCl<sub>2</sub>)",
      "@language": "en",
      "source": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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          "https://commonchemistry.cas.org/detail?cas_rn=7719-09-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "cas_match_labels": {
    "7719-09-7": "exactMatch"
  },
  "flow_object_id": "fo-160a30a18d7020df",
  "concept_associations": [
    {
      "@type": "xkos:ConceptAssociation",
      "xkos:sourceConcept": {
        "@id": "https://vocab.brightway.one/ecoinvent/3.12/flow/e5f860da-0334-4be0-b6ae-969341e05a58",
        "skos:prefLabel": "Thionyl chloride",
        "context": "air / unspecified",
        "qudt:unit": "kg"
      },
      "xkos:targetConcept": {
        "@id": "https://vocab.brightway.dev/elementary-flows/e5f860da-0334-4be0-b6ae-969341e05a58"
      },
      "xkos:mapType": {
        "@id": "http://www.w3.org/2004/02/skos/core#closeMatch"
      },
      "provenance": {
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          "algorithm.lookup_order=cas>ec>label",
          "algorithm.basis=cas:7719-09-7",
          "algorithm.flow_object_candidates=1",
          "algorithm.elementary_candidates=1",
          "algorithm.selector_reason=exact-context-iri-match",
          "algorithm.score_rule=exact-iri-shortcircuit;up-tree-filter;score=(2*unit_exact)+context_overlap-context_penalty"
        ],
        "prov:wasDerivedFrom": "algorithmic_fallback:lookup_order(cas>ec>label);basis(cas:7719-09-7);flow_object_candidates(1);elementary_candidates(1);selector(exact-context-iri-match);exact-iri-shortcircuit;up-tree-filter;score=(2*unit_exact)+context_overlap-context_penalty"
      }
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  ]
}