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CAS Number: 112055-34-2
ethyl 1-phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate

Structure

ethyl 1-phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate
Name: ethyl 1-phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate
Synonyms:
General Information
Product Number: 112055342
CAS Registry Number: 112055-34-2
Name:
1H-​Pyrazole-​4-​carboxylic acid, 1-​phenyl-​5-​(trifluoromethyl)​-​, ethyl ester
1-​Phenyl-​5-​trifluoromethyl-​1H-​pyrazole-​4-​carboxylic acid ethyl ester 
 
Chemical Formula: C13H11F3N2O2
Exact Mass: 284.08
Molecular Weight: 284.23
m/z: 284.08 (100.0%), 285.08 (14.3%), 286.08 (1.4%)
Elemental Analysis: C, 54.93; H, 3.90; F, 20.05; N, 9.86; O, 11.26
 
InChI: InChI=1S/C13H11F3N2O2/c1-2-20-12(19)10-8-17-18(11(10)13(14,15)16)9-6-4-3-5-7-9/h3-8H,2H2,1H3
InChIKey: ZJGRCTISRZQYRY-UHFFFAOYSA-N
Canonical SMILES : CCOC(=O)C1=C(N(N=C1)C2=CC=CC=C2)C(F)(F)F
 
Thermal Properties Value Condition Note
Boiling Point 120-125 °C Press: 0.05-0.075 Torr (1)IC

Specification

98%

References
  1. (1) Beck, James R.; Journal of Heterocyclic Chemistry 1987, V24(3), P739-40 CAPLUS
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