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CAS Number: 141573-95-7
ethyl 3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylate

Structure

ethyl 3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylate
Name: ethyl 3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylate
Synonyms:
General Information
Product Number: 141573957
CAS Registry Number: 141573-95-7
Name:
1H-​Pyrazole-​4-​carboxylic acid, 3-​(difluoromethyl)​-​1-​methyl-​, ethyl ester
1-​Methyl-​3-​(difluoromethyl)​pyrazole-​4-​carboxylic acid ethyl ester; 3-​Difluoromethyl-​1-​methylpyrazole-​4-​carboxylic acid ethyl ester; Ethyl 1-​methyl-​3-​(difluoromethyl)​pyrazole-​4-​carboxylate; Ethyl 1-​methyl-​3-​difluoromethyl-​1H-​pyrazole-​4-​carboxylate; Ethyl 3-​(difluoromethyl)​-​1-​methyl-​7H-​pyrazole-​4-​carboxylate; Ethyl 3-​difluoromethyl-​1-​methyl-​1H-​pyrazole-​4-​carboxylate 
 
Chemical Formula: C8H10F2N2O2
Exact Mass: 204.07
Molecular Weight: 204.17
m/z: 204.07 (100.0%), 205.07 (9.4%)
Elemental Analysis: C, 47.06; H, 4.94; F, 18.61; N, 13.72; O, 15.67
 
InChI: InChI=1S/C8H10F2N2O2/c1-3-14-8(13)5-4-12(2)11-6(5)7(9)10/h4,7H,3H2,1-2H3
InChIKey: MRQQMVMIANXDKC-UHFFFAOYSA-N
Canonical SMILES : CCOC(=O)C1=CN(N=C1C(F)F)C
 
Thermal Properties Value Condition Note
Melting Point 58-59 °C   (1)CAS

Specification

98%

References
  1. (1) Kremsner, Jennifer M.; Tetrahedron Letters 2009, V50(26), P3665-3668 CAPLUS
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