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111992-18-8

111992-18-8 Structure

111992-18-8 Structure
IdentificationBack Directory
[Name]

2-(5-amino-2,4-dichlorophenyl)-4-(difluoromethyl)-2,4-dihydro-5-methyl-3H-1,2,4-triazol-3-one)
[CAS]

111992-18-8
[Synonyms]

Step 6 (5-amine)
Umbelliferone Impurity 5
2-(5-Amino-2,4-dichlorophenyl)-4-(difluoromethyl)-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
2-(5-amino-2,4-dichlorophenyl)-4-(difluoromethyl)-2,4-dihydro-5-methyl-3H-1,2,4-triazol-3-one)
3H-1,2,4-Triazol-3-one, 2-(5-amino-2,4-dichlorophenyl)-4-(difluoromethyl)-2,4-dihydro-5-methyl-
[Molecular Formula]

C10H8Cl2F2N4O
[MDL Number]

MFCD23380741
[MOL File]

111992-18-8.mol
[Molecular Weight]

309.1
Chemical PropertiesBack Directory
[Melting point ]

137-139 °C(Solv: ethanol (64-17-5))
[Boiling point ]

402.5±55.0 °C(Predicted)
[density ]

1.71±0.1 g/cm3(Predicted)
[pka]

1.82±0.10(Predicted)
[InChI]

InChI=1S/C10H8Cl2F2N4O/c1-4-16-18(10(19)17(4)9(13)14)8-3-7(15)5(11)2-6(8)12/h2-3,9H,15H2,1H3
[InChIKey]

FSLSBGAOONZXNQ-UHFFFAOYSA-N
[SMILES]

N1=C(C)N(C(F)F)C(=O)N1C1=CC(N)=C(Cl)C=C1Cl
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