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CAS Number: 35691-93-1
ethyl 3,5-dimethyl-1H-pyrazole-4-carboxylate

Structure

ethyl 3,5-dimethyl-1H-pyrazole-4-carboxylate
Name: ethyl 3,5-dimethyl-1H-pyrazole-4-carboxylate
Synonyms:
General Information
Product Number: 35691931
CAS Registry Number: 35691-93-1
Name:
        1H-​Pyrazole-​4-​carboxylic acid, 3,​5-​dimethyl-​, ethyl ester
        3,​5-​Dimethylpyrazole-​4-​carboxylic acid ethyl ester; Ethyl 3,​5-​dimethyl-​1H-​pyrazole-​4-​carboxylate; Ethyl 3,​5-​dimethylpyrazole-​4-​carboxylate 
 
Chemical Formula: C8H12N2O2
Exact Mass: 168.09
Molecular Weight: 168.19
m/z: 168.09 (100.0%), 169.09 (9.5%)
Elemental Analysis: C, 57.13; H, 7.19; N, 16.66; O, 19.03
 
InChI: InChI=1S/C8H12N2O2/c1-4-12-8(11)7-5(2)9-10-6(7)3/h4H2,1-3H3,(H,9,10)
InChIKey: BCKARVLFIJPHQU-UHFFFAOYSA-N
Canonical SMILES : CCOC(=O)C1=C(NN=C1C)C
 
Thermal Properties Value Condition Note
Melting Point 96 °C   (2)CAS
Melting Point 96 °C   (3)CAS

Specification

98%

References
  1. (1) WSS: Spectral data were obtained from Wiley Subscription Services, Inc. (US)
  2. (2) De, Satish chandra; Journal of the Indian Chemical Society 1930, V7, P473-80 CAPLUS
  3. (3) Seidel, Felix; Berichte der Deutschen Chemischen Gesellschaft [Abteilung] B: Abhandlungen 1932, V65B, P1205-11 CAPLUS
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