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CAS Number: 155377-19-8
ethyl 3-(trifluoromethyl)-1H-pyrazole-4-carboxylate

Structure

ethyl 3-(trifluoromethyl)-1H-pyrazole-4-carboxylate
Name: ethyl 3-(trifluoromethyl)-1H-pyrazole-4-carboxylate
Synonyms:
General Information
Product Number: 155377198
CAS Registry Number: 155377-19-8
Name:
1H-​Pyrazole-​4-​carboxylic acid, 3-​(trifluoromethyl)​-​, ethyl ester
3-​Trifluoromethyl-​1H-​pyrazole-​4-​carboxylic acid ethyl ester; Ethyl 3-​trifluoromethyl-​1H-​pyrazole-​4-​carboxylate; Ethyl 3-​trifluoromethylpyraz​ole-​4-​carboxylate 
Deleted CAS Registry Numbers: 700372-​24-​3, 1082066-​48-​5
 
Chemical Formula: C7H7F3N2O2
Exact Mass: 208.05
Molecular Weight: 208.14
m/z: 208.05 (100.0%), 209.05 (7.7%)
Elemental Analysis: C, 40.39; H, 3.39; F, 27.38; N, 13.46; O, 15.37
 
InChI: InChI=1S/C7H7F3N2O2/c1-2-14-6(13)4-3-11-12-5(4)7(8,9)10/h3H,2H2,1H3,(H,11,12)
InChIKey: VYXIHSAEOXPAEY-UHFFFAOYSA-N
Canonical SMILES : CCOC(=O)C1=C(NN=C1)C(F)(F)F
 
Thermal Properties Value Condition Note
Melting Point 145 °C   (1)CAS

Specification

98%

References
  1. (1) Guillou, Sandrine; Tetrahedron 2011, V67(44), P8451-8457 CAPLUS
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