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(RS)-1-(2,4-dichlorophenyl)-5-methyl-2-pyrazoline-3,5-dicarboxylic acid

Flow Object IDfo-796c5dda59811754
TypeConsensus
prefLabel
Label Language
(RS)-1-(2,4-dichlorophenyl)-5-methyl-2-pyrazoline-3,5-dicarboxylic acid en
Alt Labels
Label Language Provenance
1-(2,4-dichlorophenyl)-4,5-dihydro-5-methyl-1H-pyrazole-3,5-dicarboxylic acid en —
rac-(5R)-1-(2,4-dichlorophenyl)-5-methyl-4,5-dihydro-1H-pyrazole-3,5-dicarboxylic acid en —
rac-1-(2,4-dichlorophenyl)-5-methyl-4,5-dihydro-1H-pyrazole-3,5-dicarboxylic acid en —
1-(2,4-Dichlorophenyl)-4,5-dihydro-5-methyl-1<em>H</em>-pyrazole-3,5-dicarboxylic acid en —
1<em>H</em>-Pyrazole-3,5-dicarboxylic acid, 1-(2,4-dichlorophenyl)-4,5-dihydro-5-methyl- en —
HOE 113225 en —
Mefenpyr en —
Definitions
Language Value Provenance
en A racemate comprising equimolar amounts of (R)- and (S)-mefenpyr. It is used (particularly as the corresponding diethyl ester, known as mefenpyr-diethyl) as a herbicide safener for use with fenoxaprop-P-ethyl and iodosulfuron-methyl-sodium & pyrasulfotole.
CAS Numbers135591-00-3
Changes Applied2

Properties

Predicate Value
Formal charge 0
InChIKey XEJNEDVTJPXRSM-UHFFFAOYSA-N
InChI InChI=1S/C12H10Cl2N2O4/c1-12(11(19)20)5-8(10(17)18)15-16(12)9-3-2-6(13)4-7(9)14/h2-4H,5H2,1H3,(H,17,18)(H,19,20)
IUPAC name 1-(2,4-dichlorophenyl)-5-methyl-2-pyrazoline-3,5-dicarboxylic acid, 1-(2,4-dichlorophenyl)-5-methyl-4H-pyrazole-3,5-dicarboxylic acid
Molecular formula C12H10Cl2N2O4
Molecular mass 317.125
Monoisotopic mass 316.00176
SMILES CC1(CC(=NN1C2=C(C=C(C=C2)Cl)Cl)C(=O)O)C(=O)O

References

Linked Elementary Flows

UUID Source Unit Context LCIA Factors Consensus Changes
766cf44e… EF 3.1 kg Environmental → Ground → Agricultural 0 2
▶

Changes Applied
Elementary Flow Field Old Value New Value Comment
766cf44e… altLabel [{"@value":"(RS)-1-(2,4-dichlorophenyl)-5-methyl-2-pyrazoline-3,5-dicarboxylic acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["label:(RS)-1-(2,4-dichlorophenyl)-5-methyl-2-pyrazoline-3,5-dicarboxylic acid","http://purl.obolibrary.org/obo/CHEBI_133767","EF 3.1"],"prov:wasDerivedFrom":"chebi synonym match"}},{"@value":"1-(2,4-dichlorophenyl)-4,5-dihydro-5-methyl-1H-pyrazole-3,5-dicarboxylic acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["label:1-(2,4-dichlorophenyl)-4,5-dihydro-5-methyl-1H-pyrazole-3,5-dicarboxylic acid","http://purl.obolibrary.org/obo/CHEBI_133767","EF 3.1"],"prov:wasDerivedFrom":"chebi synonym match"}},{"@value":"rac-(5R)-1-(2,4-dichlorophenyl)-5-methyl-4,5-dihydro-1H-pyrazole-3,5-dicarboxylic acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["label:rac-(5R)-1-(2,4-dichlorophenyl)-5-methyl-4,5-dihydro-1H-pyrazole-3,5-dicarboxylic acid","http://purl.obolibrary.org/obo/CHEBI_133767","EF 3.1"],"prov:wasDerivedFrom":"chebi synonym match"}},{"@value":"rac-1-(2,4-dichlorophenyl)-5-methyl-4,5-dihydro-1H-pyrazole-3,5-dicarboxylic acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["label:rac-1-(2,4-dichlorophenyl)-5-methyl-4,5-dihydro-1H-pyrazole-3,5-dicarboxylic acid","http://purl.obolibrary.org/obo/CHEBI_133767","EF 3.1"],"prov:wasDerivedFrom":"chebi synonym match"}}] [{"@value":"(RS)-1-(2,4-dichlorophenyl)-5-methyl-2-pyrazoline-3,5-dicarboxylic acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["label:(RS)-1-(2,4-dichlorophenyl)-5-methyl-2-pyrazoline-3,5-dicarboxylic acid","http://purl.obolibrary.org/obo/CHEBI_133767","EF 3.1"],"prov:wasDerivedFrom":"chebi synonym match"}},{"@value":"1-(2,4-dichlorophenyl)-4,5-dihydro-5-methyl-1H-pyrazole-3,5-dicarboxylic acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["label:1-(2,4-dichlorophenyl)-4,5-dihydro-5-methyl-1H-pyrazole-3,5-dicarboxylic acid","http://purl.obolibrary.org/obo/CHEBI_133767","EF 3.1"],"prov:wasDerivedFrom":"chebi synonym match"}},{"@value":"rac-(5R)-1-(2,4-dichlorophenyl)-5-methyl-4,5-dihydro-1H-pyrazole-3,5-dicarboxylic acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["label:rac-(5R)-1-(2,4-dichlorophenyl)-5-methyl-4,5-dihydro-1H-pyrazole-3,5-dicarboxylic acid","http://purl.obolibrary.org/obo/CHEBI_133767","EF 3.1"],"prov:wasDerivedFrom":"chebi synonym match"}},{"@value":"rac-1-(2,4-dichlorophenyl)-5-methyl-4,5-dihydro-1H-pyrazole-3,5-dicarboxylic acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["label:rac-1-(2,4-dichlorophenyl)-5-methyl-4,5-dihydro-1H-pyrazole-3,5-dicarboxylic acid","http://purl.obolibrary.org/obo/CHEBI_133767","EF 3.1"],"prov:wasDerivedFrom":"chebi synonym match"}},{"@value":"1-(2,4-Dichlorophenyl)-4,5-dihydro-5-methyl-1<em>H</em>-pyrazole-3,5-dicarboxylic acid","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:135591-00-3","https://commonchemistry.cas.org/detail?cas_rn=135591-00-3"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"1<em>H</em>-Pyrazole-3,5-dicarboxylic acid, 1-(2,4-dichlorophenyl)-4,5-dihydro-5-methyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:135591-00-3","https://commonchemistry.cas.org/detail?cas_rn=135591-00-3"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"HOE 113225","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:135591-00-3","https://commonchemistry.cas.org/detail?cas_rn=135591-00-3"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=mefenpyr||dimension=Environmental > media=Ground > geography=Agricultural; cas=135591-00-3; added Common Chemistry CAS names as altLabel: 1-(2,4-Dichlorophenyl)-4,5-dihydro-5-methyl-1<em>H</em>-pyrazole-3,5-dicarboxylic acid, 1<em>H</em>-Pyrazole-3,5-dicarboxylic acid, 1-(2,4-dichlorophenyl)-4,5-dihydro-5-methyl-, HOE 113225; object_uuid=fo-796c5dda59811754
766cf44e… cas_match_labels — {"135591-00-3":"exactMatch"} group_key=mefenpyr||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['chebi', 'pubchem']; cas_sources={'135591-00-3': ['chebi', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-796c5dda59811754: {'135591-00-3': 'exactMatch'}

Flow Object JSON

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          "http://purl.obolibrary.org/obo/CHEBI_133767"
        ],
        "prov:wasDerivedFrom": "chebi.definition"
      }
    }
  ]
}