Rpa-202248

UUID 9e945d4a-1bac-402b-be5d-aa335f498fb3

Flow Object ID fo-a310213c6f148c2b

Source EF 3.1

Context Environmental → Air → High stack, >150 meters

CAS Numbers 143701-75-1

prefLabel

Language	Value	Provenance
`en`	`Rpa-202248`

altLabel

Language	Value	Provenance
`en`	`2-cyano-3-cyclopropyl-1-[2-(methylsulphonyl)-4-trifluoromethylphenyl] propan-1,3-dione`
`en`	`3-cyclopropyl-1-(alpha,alpha,alpha-trifluoro-2-mesyl-p-tolyl)-1,3-dioxopropane-2-nitrile`
`en`	`alpha-(cyclopropylcarbonyl)-2-(methylsulfonyl)-beta-oxo-4-(trifluoromethyl)benzenepropanenitrile`
`en`	`diketonitrile`
`en`	`3-cyclopropyl-2-[2-(methylsulfonyl)-4-(trifluoromethyl)benzoyl]-3-oxopropanenitrile`

Definitions

Language	Value	Provenance
`en`	A β-diketone and nitrile resulting from the the degradation of the isoxazole ring of isoxaflutole. The active herbicide of the proherbicide isoxaflutole.

References

Shared Properties

Predicate	Value
Formal charge	`0`
InChIKey	`ZTTKDUXKVPEXCG-UHFFFAOYSA-N`
InChI	`InChI=1S/C15H12F3NO4S/c1-24(22,23)12-6-9(15(16,17)18)4-5-10(12)14(21)11(7-19)13(20)8-2-3-8/h4-6,8,11H,2-3H2,1H3`
IUPAC name	`2-(cyclopropanecarbonyl)-3-[2-methylsulfonyl-4-(trifluoromethyl)phenyl]-3-oxo-propanenitrile, 2-(cyclopropanecarbonyl)-3-[2-methylsulfonyl-4-(trifluoromethyl)phenyl]-3-oxopropanenitrile, 2-(cyclopropanecarbonyl)-3-keto-3-[2-mesyl-4-(trifluoromethyl)phenyl]propionitrile, 2-[cyclopropyl(oxo)methyl]-3-[2-methylsulfonyl-4-(trifluoromethyl)phenyl]-3-oxopropanenitrile, 2-cyclopropylcarbonyl-3-[2-methylsulfonyl-4-(trifluoromethyl)phenyl]-3-oxidanylidene-propanenitrile`
Molecular formula	`C15H12F3NO4S`
Molecular mass	`359.325`
Monoisotopic mass	`359.04391`
SMILES	`CS(=O)(=O)C1=C(C=CC(=C1)C(F)(F)F)C(=O)C(C#N)C(=O)C2CC2, CS(=O)(=O)c1cc(C(F)(F)F)ccc1C(=O)C(C#N)C(=O)C1CC1`

Source List References

List	Version	Source Flow UUID	Source Flow Name
EF	3.1	`9e945d4a-1bac-402b-be5d-aa335f498fb3`	3-cyclopropyl-2-[2-(methylsulfonyl)-4-(trifluoromethyl)benzoyl]-3-oxopropanenitrile

Concept Associations

Source List	Source Flow	Source Context	Unit	Match Type	Conversion	Provenance
EF 3.1	3-cyclopropyl-2-[2-(methylsulfonyl)-4-(trifluoromethyl)benzoyl]-3-oxopropanenitrile	Emissions/Emissions to air/Emissions to non-urban air or from high stacks	kg	`exactMatch`	—

Consolidated Field Provenance

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

Field	Change Count	Latest Time	Transformers	Latest Comment
`cas_match_labels`	1	`—`	consensus_match	group_key=3-cyclopropyl-2-[2-(methylsulfonyl)-4-(trifluoromethyl)benzoyl]-3-oxopropanenitrile\|\|dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=['chebi', 'pubchem']; cas_sources={'143701-75-1': ['chebi', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-a310213c6f148c2b: {'143701-75-1': 'exactMatch'}

Context Attributes

Attribute	Value
dimension	Environmental
media	Air
strata	High stack, >150 meters

Consensus Changes

Field	Old Value	New Value	Comment
`cas_match_labels`	`None`	`{'143701-75-1': 'exactMatch'}`	group_key=3-cyclopropyl-2-[2-(methylsulfonyl)-4-(trifluoromethyl)benzoyl]-3-oxopropanenitrile\|\|dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=['chebi', 'pubchem']; cas_sources={'143701-75-1': ['chebi', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-a310213c6f148c2b: {'143701-75-1': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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    },
    {
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    },
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    },
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        "skos:prefLabel": "3-cyclopropyl-2-[2-(methylsulfonyl)-4-(trifluoromethyl)benzoyl]-3-oxopropanenitrile",
        "context": "Emissions/Emissions to air/Emissions to non-urban air or from high stacks",
        "qudt:unit": "kg"
      },
      "xkos:targetConcept": {
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}