ChemicalBook--->CAS DataBase List--->113100-55-3

113100-55-3

113100-55-3 Structure

113100-55-3 Structure
IdentificationBack Directory
[Name]

3-METHYL-1-(2,2,2-TRIFLUORO-ETHYL)-1H-PYRAZOLE-4-CARBOXYLIC ACID
[CAS]

113100-55-3
[Synonyms]

AKOS B030777
3-METHYL-1-(2,2,2-TRIFLUORO-ETHYL)-1H-PYRAZOLE-4-CARBOXYLIC ACID
1H-Pyrazole-4-carboxylic acid, 3-methyl-1-(2,2,2-trifluoroethyl)-
[Molecular Formula]

C7H7F3N2O2
[MDL Number]

MFCD07357370
[MOL File]

113100-55-3.mol
[Molecular Weight]

208.14
Chemical PropertiesBack Directory
[Boiling point ]

282.3±40.0 °C(Predicted)
[density ]

1.48±0.1 g/cm3(Predicted)
[form ]

solid
[pka]

3.43±0.25(Predicted)
[InChI]

1S/C7H7F3N2O2/c1-4-5(6(13)14)2-12(11-4)3-7(8,9)10/h2H,3H2,1H3,(H,13,14)
[InChIKey]

CHTJYARIOYPNAG-UHFFFAOYSA-N
[SMILES]

CC1=NN(C=C1C(O)=O)CC(F)(F)F
Safety DataBack Directory
[WGK Germany ]

WGK 3
[Storage Class]

11 - Combustible Solids
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