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CAS Number: 481065-92-3
1-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxylic acid

Structure

1-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxylic acid
Name: 1-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxylic acid
Synonyms:
General Information
Product Number: 481065923

CAS Registry Number 481065-92-3
Name:
1H-​Pyrazole-​3-​carboxylic acid, 1-​methyl-​5-​(trifluoromethyl)​-
1-Methyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxylic acid
5-Trifluoromethyl-1-methylpyrazole-3-carboxylic acid

 

Chemical Formula: C6H5F3N2O2
Exact Mass: 194.03
Molecular Weight: 194.11
m/z: 194.03 (100.0%), 195.03 (7.3%)

 

InChI:InChI=1S/C6H5F3N2O2/c1-11-4(6(7,8)9)2-3(10-11)5(12)13/h2H,1H3,(H,12,13)

InChI Key:QMIUBFUPVMQMRE-UHFFFAOYSA-N

Canonical SMILES:CN1C(=CC(=N1)C(=O)O)C(F)(F)F

 

Thermal Properties Value Condition Note
Melting Point 127-129 °C   (4)CAS
Melting Point 80-82 °C   (1)CAS

Specification

98%

References
  1. (1) Fustero, Santos; Journal of Organic Chemistry 2008, V73(9), P3523-3529 CAPLUS
  2. (4) Schlosser, Manfred; European Journal of Organic Chemistry 2002, (17), P2913-2920 CAPLUS
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