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Carfentrazone

UUID 2047578f-5e30-4c98-bc46-fc4432a5fe41
Flow Object IDfo-bbded391a166c895
Source EF 3.1
Context Environmental → Air → Aircraft cruise height
CAS Numbers 128621-72-7
EC Numbers 603-289-7
prefLabel ⓘ
Language Value Provenance
en Carfentrazone
altLabel ⓘ
Language Value Provenance
en rac-2-chloro-3-{2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}propanoic acid
en rac-2-chloro-3-{2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}propionic acid
en 2-Chloro-3-[2-chloro-5-[4-(difluoromethyl)-4,5-dihydro-3-methyl-5-oxo-1<em>H</em>-1,2,4-triazol-1-yl]-4-fluorophenyl]propionic acid
en Aim EC
en Benzenepropanoic acid, α,2-dichloro-5-[4-(difluoromethyl)-4,5-dihydro-3-methyl-5-oxo-1<em>H</em>-1,2,4-triazol-1-yl]-4-fluoro-
en Oratio
en α,2-Dichloro-5-[4-(difluoromethyl)-4,5-dihydro-3-methyl-5-oxo-1<em>H</em>-1,2,4-triazol-1-yl]-4-fluorobenzenepropanoic acid
Definitions
Language Value Provenance
en A racemate comprising equimolar amounts of (R)- and (S)-carfentrazone. A protoporphyrinogen oxidase inhibitor, it is used (generally as the corresponding ethyl ester, carfentrazone-ethyl) to control broad-leafed weeds in potatoes and cereal crops.
References
Shared Properties
Predicate Value
Formal charge 0
InChIKey YHKBGVDUSSWOAB-UHFFFAOYSA-N
InChI InChI=1S/C13H10Cl2F3N3O3/c1-5-19-21(13(24)20(5)12(17)18)10-3-6(2-8(15)11(22)23)7(14)4-9(10)16/h3-4,8,12H,2H2,1H3,(H,22,23)
IUPAC name 2-chloro-3-[2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]-4-fluoro-phenyl]propanoic acid, 2-chloro-3-[2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]-4-fluorophenyl]propanoic acid, 2-chloro-3-[2-chloro-5-[4-(difluoromethyl)-5-keto-3-methyl-1,2,4-triazol-1-yl]-4-fluoro-phenyl]propionic acid, 3-[5-[4-[bis(fluoranyl)methyl]-3-methyl-5-oxidanylidene-1,2,4-triazol-1-yl]-2-chloranyl-4-fluoranyl-phenyl]-2-chloranyl-propanoic acid
Molecular formula C13H10Cl2F3N3O3
Molecular mass 384.138
Monoisotopic mass 383.00513
SMILES CC1=NN(C(=O)N1C(F)F)C2=C(C=C(C(=C2)CC(C(=O)O)Cl)Cl)F

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 2047578f-5e30-4c98-bc46-fc4432a5fe41 benzenepropanoic acid, α,2-dichloro-5-[4-(difluoromethyl)-4,5-dihydro-3-methyl-5-oxo-1h-1,2,4-triazol-1-yl]-4-fluoro-

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 benzenepropanoic acid, α,2-dichloro-5-[4-(difluoromethyl)-4,5-dihydro-3-methyl-5-oxo-1h-1,2,4-triazol-1-yl]-4-fluoro- Emissions/Emissions to air/Emissions to lower stratosphere and upper troposphere 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=benzenepropanoicacid,α,2-dichloro-5-[4-(difluoromethyl)-4,5-dihydro-3-methyl-5-oxo-1h-1,2,4-triazol-1-yl]-4-fluoro-||dimension=Environmental > media=Water > water_body=Surface water; cas=128621-72-7; added Common Chemistry CAS names as altLabel: 2-Chloro-3-[2-chloro-5-[4-(difluoromethyl)-4,5-dihydro-3-methyl-5-oxo-1<em>H</em>-1,2,4-triazol-1-yl]-4-fluorophenyl]propionic acid, Aim EC, Benzenepropanoic acid, α,2-dichloro-5-[4-(difluoromethyl)-4,5-dihydro-3-methyl-5-oxo-1<em>H</em>-1,2,4-triazol-1-yl]-4-fluoro-, Oratio, α,2-Dichloro-5-[4-(difluoromethyl)-4,5-dihydro-3-methyl-5-oxo-1<em>H</em>-1,2,4-triazol-1-yl]-4-fluorobenzenepropanoic acid; object_uuid=fo-bbded391a166c895
cas_match_labels 1 — consensus_match group_key=benzenepropanoicacid,α,2-dichloro-5-[4-(difluoromethyl)-4,5-dihydro-3-methyl-5-oxo-1h-1,2,4-triazol-1-yl]-4-fluoro-||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['chebi']; cas_sources={'128621-72-7': ['chebi']}; assigned CAS labels from group consensus; object_uuid=fo-bbded391a166c895: {'128621-72-7': 'exactMatch'}
prefLabel 1 — consensus_match cas=128621-72-7; cc_chebi_agreed_name='Carfentrazone'; object_uuid=fo-bbded391a166c895

Context Attributes

AttributeValue
dimensionEnvironmental
mediaAir
strataAircraft cruise height

Consensus Changes

Field Old Value New Value Comment
prefLabel [{'@value': 'Benzenepropanoic Acid, Α,2-dichloro-5-[4-(difluoromethyl)-4,5-dihydro-3-methyl-5-oxo-1h-1,2,4-triazol-1-yl]-4-fluoro-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'bootstrap_labels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['EF 3.1'], 'prov:wasDerivedFrom': 'legacy name field'}}] [{'@value': 'Carfentrazone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:128621-72-7'], 'prov:wasDerivedFrom': 'Common Chemistry / ChEBI primary name agreement'}}] cas=128621-72-7; cc_chebi_agreed_name='Carfentrazone'; object_uuid=fo-bbded391a166c895
altLabel [{'@value': 'rac-2-chloro-3-{2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}propanoic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:rac-2-chloro-3-{2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}propanoic acid', 'http://purl.obolibrary.org/obo/CHEBI_3415', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'rac-2-chloro-3-{2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}propionic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:rac-2-chloro-3-{2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}propionic acid', 'http://purl.obolibrary.org/obo/CHEBI_3415', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}] [{'@value': 'rac-2-chloro-3-{2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}propanoic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:rac-2-chloro-3-{2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}propanoic acid', 'http://purl.obolibrary.org/obo/CHEBI_3415', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'rac-2-chloro-3-{2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}propionic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:rac-2-chloro-3-{2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}propionic acid', 'http://purl.obolibrary.org/obo/CHEBI_3415', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Benzenepropanoic Acid, Α,2-dichloro-5-[4-(difluoromethyl)-4,5-dihydro-3-methyl-5-oxo-1h-1,2,4-triazol-1-yl]-4-fluoro-', '@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=128621-72-7; added original name as altLabel after CC/ChEBI rename; object_uuid=fo-bbded391a166c895
altLabel [{'@value': 'rac-2-chloro-3-{2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}propanoic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:rac-2-chloro-3-{2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}propanoic acid', 'http://purl.obolibrary.org/obo/CHEBI_3415', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'rac-2-chloro-3-{2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}propionic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:rac-2-chloro-3-{2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}propionic acid', 'http://purl.obolibrary.org/obo/CHEBI_3415', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Benzenepropanoic Acid, Α,2-dichloro-5-[4-(difluoromethyl)-4,5-dihydro-3-methyl-5-oxo-1h-1,2,4-triazol-1-yl]-4-fluoro-', '@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': 'rac-2-chloro-3-{2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}propanoic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:rac-2-chloro-3-{2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}propanoic acid', 'http://purl.obolibrary.org/obo/CHEBI_3415', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'rac-2-chloro-3-{2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}propionic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:rac-2-chloro-3-{2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}propionic acid', 'http://purl.obolibrary.org/obo/CHEBI_3415', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '2-Chloro-3-[2-chloro-5-[4-(difluoromethyl)-4,5-dihydro-3-methyl-5-oxo-1<em>H</em>-1,2,4-triazol-1-yl]-4-fluorophenyl]propionic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:128621-72-7', 'https://commonchemistry.cas.org/detail?cas_rn=128621-72-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Aim EC', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:128621-72-7', 'https://commonchemistry.cas.org/detail?cas_rn=128621-72-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Benzenepropanoic acid, α,2-dichloro-5-[4-(difluoromethyl)-4,5-dihydro-3-methyl-5-oxo-1<em>H</em>-1,2,4-triazol-1-yl]-4-fluoro-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:128621-72-7', 'https://commonchemistry.cas.org/detail?cas_rn=128621-72-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Oratio', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:128621-72-7', 'https://commonchemistry.cas.org/detail?cas_rn=128621-72-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'α,2-Dichloro-5-[4-(difluoromethyl)-4,5-dihydro-3-methyl-5-oxo-1<em>H</em>-1,2,4-triazol-1-yl]-4-fluorobenzenepropanoic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:128621-72-7', 'https://commonchemistry.cas.org/detail?cas_rn=128621-72-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=benzenepropanoicacid,α,2-dichloro-5-[4-(difluoromethyl)-4,5-dihydro-3-methyl-5-oxo-1h-1,2,4-triazol-1-yl]-4-fluoro-||dimension=Environmental > media=Water > water_body=Surface water; cas=128621-72-7; added Common Chemistry CAS names as altLabel: 2-Chloro-3-[2-chloro-5-[4-(difluoromethyl)-4,5-dihydro-3-methyl-5-oxo-1<em>H</em>-1,2,4-triazol-1-yl]-4-fluorophenyl]propionic acid, Aim EC, Benzenepropanoic acid, α,2-dichloro-5-[4-(difluoromethyl)-4,5-dihydro-3-methyl-5-oxo-1<em>H</em>-1,2,4-triazol-1-yl]-4-fluoro-, Oratio, α,2-Dichloro-5-[4-(difluoromethyl)-4,5-dihydro-3-methyl-5-oxo-1<em>H</em>-1,2,4-triazol-1-yl]-4-fluorobenzenepropanoic acid; object_uuid=fo-bbded391a166c895
cas_match_labels None {'128621-72-7': 'exactMatch'} group_key=benzenepropanoicacid,α,2-dichloro-5-[4-(difluoromethyl)-4,5-dihydro-3-methyl-5-oxo-1h-1,2,4-triazol-1-yl]-4-fluoro-||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['chebi']; cas_sources={'128621-72-7': ['chebi']}; assigned CAS labels from group consensus; object_uuid=fo-bbded391a166c895: {'128621-72-7': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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  "name": null,
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  "ec_numbers": [
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    "dimension": "Environmental",
    "media": "Air",
    "strata": "Aircraft cruise height"
  },
  "general_comment": null,
  "synonyms": [],
  "unit": "kg",
  "lcia_methods": [
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      "methodology": "Environmental Footprint",
      "impact_category": "Aquatic eco-toxicity",
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      "characterization_factor": 20876.0
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    {
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      "name": "Ecotoxicity, freshwater_organics",
      "methodology": "Environmental Footprint",
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      "impact_indicator": "Comparative Toxic Unit for ecosystems (CTUe) ",
      "characterization_factor": 20876.0
    }
  ],
  "source": "EF 3.1",
  "identifier": "2047578f-5e30-4c98-bc46-fc4432a5fe41",
  "input_datasets": [
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      }
    }
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