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CAS Number: 133922-58-4
ethyl 3-amino-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate

Structure

ethyl 3-amino-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate
Name: ethyl 3-amino-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate
Synonyms:
General Information
Product Number: 133922584
CAS Registry Number: 133922-58-4
Name:
1H-​Pyrazole-​4-​carboxylic acid, 3-​amino-​5-​(trifluoromethyl)​-​, ethyl ester
Deleted CAS Registry Numbers: 915157-​98-​1
 
Chemical Formula: C7H8F3N3O2
Exact Mass: 223.06
Molecular Weight: 223.15
m/z: 223.06 (100.0%), 224.06 (7.7%), 224.05 (1.1%)
Elemental Analysis: C, 37.68; H, 3.61; F, 25.54; N, 18.83; O, 14.34
 
InChI: InChI=1S/C7H8F3N3O2/c1-2-15-6(14)3-4(7(8,9)10)12-13-5(3)11/h2H2,1H3,(H3,11,12,13)
InChIKey: FEGMGWHHXKCSPN-UHFFFAOYSA-N
Canonical SMILES : CCOC(=O)C1=C(NN=C1N)C(F)(F)F
 
Thermal Properties Value Condition Note
Melting Point 170-171 °C Solv: dichloromethane (75-09-2) (1)CAS

Specification

98%

References
  1. (1) Wu, Yan-Chao; Journal of Fluorine Chemistry 2006, V127(3), P409-416 CAPLUS
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