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CAS Number: 124800-34-6
ethyl 4-chloro-3-ethyl-1-methyl-1H-pyrazole-5-carboxylate

Structure

ethyl 4-chloro-3-ethyl-1-methyl-1H-pyrazole-5-carboxylate
Name: ethyl 4-chloro-3-ethyl-1-methyl-1H-pyrazole-5-carboxylate
Synonyms:
General Information
Product Number: 124800346
CAS Registry Number: 124800-34-6
Name:
1H-​Pyrazole-​5-​carboxylic acid, 4-​chloro-​3-​ethyl-​1-​methyl-​, ethyl ester
4-​Chloro-​5-​ethyl-​2-​methyl-​2H-​pyrazole-​3-​carboxylic acid ethyl ester; Ethyl 1-​methyl-​3-​ethyl-​4-​chloro-​5-​pyrazolecarboxylate 
 
Chemical Formula: C9H13ClN2O2
Exact Mass: 216.07
Molecular Weight: 216.66
m/z: 216.07 (100.0%), 218.06 (32.0%), 217.07 (10.0%), 219.07 (3.2%)
Elemental Analysis: C, 49.89; H, 6.05; Cl, 16.36; N, 12.93; O, 14.77
 
InChI: InChI=1S/C9H13ClN2O2/c1-4-6-7(10)8(12(3)11-6)9(13)14-5-2/h4-5H2,1-3H3
InChIKey: CUKJHWLTDJWPHN-UHFFFAOYSA-N
Canonical SMILES : CCC1=NN(C(=C1Cl)C(=O)OCC)C
 
Thermal Properties Value Condition Note
Melting Point 33.4-34.8 °C   (1)CAS

Specification

98%

References
  1. (1) Despotopoulou, Christina; Organic Letters 2009, V11(15), P3326-3329 CAPLUS
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