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618070-43-2

618070-43-2 Structure

618070-43-2 Structure
IdentificationBack Directory
[Name]

1-(4-FLUOROBENZYL)-3-METHYL-1H-PYRAZOLE&
[CAS]

618070-43-2
[Synonyms]

1-(4-Fluorobenzyl)-3-methyl-1H-pyrazole-5-carboxylic acid 97%
1H-Pyrazole-5-carboxylic acid, 1-[(4-fluorophenyl)methyl]-3-methyl-
[Molecular Formula]

C12H11FN2O2
[MDL Number]

MFCD03933282
[MOL File]

618070-43-2.mol
[Molecular Weight]

234.23
Chemical PropertiesBack Directory
[Melting point ]

194-198 °C(lit.)
[Boiling point ]

429.9±40.0 °C(Predicted)
[density ]

1.29±0.1 g/cm3(Predicted)
[form ]

solid
[pka]

3.55±0.36(Predicted)
[InChI]

1S/C12H11FN2O2/c1-8-6-11(12(16)17)15(14-8)7-9-2-4-10(13)5-3-9/h2-6H,7H2,1H3,(H,16,17)
[InChIKey]

LCNKEPNSKFFGPO-UHFFFAOYSA-N
[SMILES]

Cc1cc(C(O)=O)n(Cc2ccc(F)cc2)n1
Safety DataBack Directory
[Safety Statements ]

22-24/25
[WGK Germany ]

3
[Storage Class]

11 - Combustible Solids
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