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Phenyl isocyanate

UUID d1ef8c03-791e-4c75-b913-7044912acf96
Flow Object IDfo-a6c63fd86479ac04
Source EF 3.1
Context Environmental → Water → Surface water
CAS Numbers 103-71-9
EC Numbers 203-137-6
prefLabel ⓘ
Language Value Provenance
en Phenyl isocyanate
altLabel ⓘ
Language Value Provenance
en Carbanil
en Isocyanic acid, phenyl ester
en PI
en PIC
en PhNCO
en Phenyl carbonimide
en Phenylcarbimide
en Benzene, isocyanato-
en Isocyanatobenzene
en Mondur P
en NSC 74454
Definitions
Language Value Provenance
en An isocyanate composed of a benzene ring bearing a single isocyanato substituent.
References
Shared Properties
Predicate Value
Formal charge 0
InChIKey DGTNSSLYPYDJGL-UHFFFAOYSA-N
InChI InChI=1S/C7H5NO/c9-6-8-7-4-2-1-3-5-7/h1-5H
IUPAC name isocyanatobenzene
Molecular formula C7H5NO
Molecular mass 119.123
Monoisotopic mass 119.03711
SMILES C1=CC=C(C=C1)N=C=O, O=C=Nc1ccccc1

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 d1ef8c03-791e-4c75-b913-7044912acf96 isocyanatobenzene

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 isocyanatobenzene Emissions/Emissions to water/Emissions to fresh water kg exactMatch —

Consolidated Field Provenance

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

Field Change Count Latest Time Transformers Latest Comment
altLabel 2 — consensus_match group_key=isocyanatobenzene||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); cas=103-71-9; added Common Chemistry CAS names as altLabel: Benzene, isocyanato-, Isocyanatobenzene, Mondur P, NSC 74454; object_uuid=fo-a6c63fd86479ac04
cas_match_labels 1 — consensus_match group_key=isocyanatobenzene||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'103-71-9': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-a6c63fd86479ac04: {'103-71-9': 'exactMatch'}
prefLabel 1 — consensus_match cas=103-71-9; cc_chebi_agreed_name='Phenyl isocyanate'; object_uuid=fo-a6c63fd86479ac04

Context Attributes

AttributeValue
dimensionEnvironmental
mediaWater
water_bodySurface water

Consensus Changes

Field Old Value New Value Comment
prefLabel [{'@value': 'Isocyanatobenzene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'bootstrap_labels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['EF 3.1'], 'prov:wasDerivedFrom': 'legacy name field'}}] [{'@value': 'Phenyl isocyanate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:103-71-9'], 'prov:wasDerivedFrom': 'Common Chemistry / ChEBI primary name agreement'}}] cas=103-71-9; cc_chebi_agreed_name='Phenyl isocyanate'; object_uuid=fo-a6c63fd86479ac04
altLabel [{'@value': 'Carbanil', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Carbanil', 'http://purl.obolibrary.org/obo/CHEBI_53806', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Isocyanic acid, phenyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Isocyanic acid, phenyl ester', 'http://purl.obolibrary.org/obo/CHEBI_53806', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'PI', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:PI', 'http://purl.obolibrary.org/obo/CHEBI_53806', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'PIC', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:PIC', 'http://purl.obolibrary.org/obo/CHEBI_53806', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'PhNCO', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:PhNCO', 'http://purl.obolibrary.org/obo/CHEBI_53806', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Phenyl carbonimide', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Phenyl carbonimide', 'http://purl.obolibrary.org/obo/CHEBI_53806', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Phenyl isocyanate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Phenyl isocyanate', 'http://purl.obolibrary.org/obo/CHEBI_53806', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Phenylcarbimide', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Phenylcarbimide', 'http://purl.obolibrary.org/obo/CHEBI_53806', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}] [{'@value': 'Carbanil', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Carbanil', 'http://purl.obolibrary.org/obo/CHEBI_53806', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Isocyanic acid, phenyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Isocyanic acid, phenyl ester', 'http://purl.obolibrary.org/obo/CHEBI_53806', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'PI', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:PI', 'http://purl.obolibrary.org/obo/CHEBI_53806', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'PIC', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:PIC', 'http://purl.obolibrary.org/obo/CHEBI_53806', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'PhNCO', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:PhNCO', 'http://purl.obolibrary.org/obo/CHEBI_53806', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Phenyl carbonimide', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Phenyl carbonimide', 'http://purl.obolibrary.org/obo/CHEBI_53806', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Phenylcarbimide', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Phenylcarbimide', 'http://purl.obolibrary.org/obo/CHEBI_53806', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Isocyanatobenzene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['EF 3.1'], 'prov:wasDerivedFrom': 'original name retained as altLabel'}}] cas=103-71-9; added original name as altLabel after CC/ChEBI rename; object_uuid=fo-a6c63fd86479ac04
altLabel [{'@value': 'Carbanil', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Carbanil', 'http://purl.obolibrary.org/obo/CHEBI_53806', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Isocyanic acid, phenyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Isocyanic acid, phenyl ester', 'http://purl.obolibrary.org/obo/CHEBI_53806', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'PI', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:PI', 'http://purl.obolibrary.org/obo/CHEBI_53806', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'PIC', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:PIC', 'http://purl.obolibrary.org/obo/CHEBI_53806', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'PhNCO', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:PhNCO', 'http://purl.obolibrary.org/obo/CHEBI_53806', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Phenyl carbonimide', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Phenyl carbonimide', 'http://purl.obolibrary.org/obo/CHEBI_53806', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Phenylcarbimide', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Phenylcarbimide', 'http://purl.obolibrary.org/obo/CHEBI_53806', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Isocyanatobenzene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['EF 3.1'], 'prov:wasDerivedFrom': 'original name retained as altLabel'}}] [{'@value': 'Carbanil', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Carbanil', 'http://purl.obolibrary.org/obo/CHEBI_53806', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Isocyanic acid, phenyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Isocyanic acid, phenyl ester', 'http://purl.obolibrary.org/obo/CHEBI_53806', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'PI', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:PI', 'http://purl.obolibrary.org/obo/CHEBI_53806', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'PIC', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:PIC', 'http://purl.obolibrary.org/obo/CHEBI_53806', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'PhNCO', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:PhNCO', 'http://purl.obolibrary.org/obo/CHEBI_53806', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Phenyl carbonimide', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Phenyl carbonimide', 'http://purl.obolibrary.org/obo/CHEBI_53806', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Phenylcarbimide', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Phenylcarbimide', 'http://purl.obolibrary.org/obo/CHEBI_53806', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Benzene, isocyanato-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:103-71-9', 'https://commonchemistry.cas.org/detail?cas_rn=103-71-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Isocyanatobenzene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:103-71-9', 'https://commonchemistry.cas.org/detail?cas_rn=103-71-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Mondur P', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:103-71-9', 'https://commonchemistry.cas.org/detail?cas_rn=103-71-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 74454', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:103-71-9', 'https://commonchemistry.cas.org/detail?cas_rn=103-71-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=isocyanatobenzene||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); cas=103-71-9; added Common Chemistry CAS names as altLabel: Benzene, isocyanato-, Isocyanatobenzene, Mondur P, NSC 74454; object_uuid=fo-a6c63fd86479ac04
cas_match_labels None {'103-71-9': 'exactMatch'} group_key=isocyanatobenzene||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'103-71-9': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-a6c63fd86479ac04: {'103-71-9': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

{
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  "name": null,
  "cas_numbers": [
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    "media": "Water",
    "water_body": "Surface water"
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  "general_comment": null,
  "synonyms": [],
  "unit": "kg",
  "lcia_methods": [
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      "name": "Ecotoxicity, freshwater",
      "methodology": "Environmental Footprint",
      "impact_category": "Aquatic eco-toxicity",
      "impact_indicator": "Comparative Toxic Unit for ecosystems (CTUe) ",
      "characterization_factor": 75819.0
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      "methodology": "Environmental Footprint",
      "impact_category": "Non-cancer human health effects",
      "impact_indicator": "Comparative Toxic Unit for human (CTUh)",
      "characterization_factor": 0.00034146
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    {
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      "impact_indicator": "Comparative Toxic Unit for ecosystems (CTUe) ",
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          "Emissions to water",
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