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CAS Number: 79836-78-5
ethyl 2-methylthiazole-5-carboxylate

Structure

ethyl 2-methylthiazole-5-carboxylate
Name: ethyl 2-methylthiazole-5-carboxylate
Synonyms:
General Information
Product Number: 79836785
CAS Registry Number: 79836-78-5
Name:
5-​Thiazolecarboxylic acid, 2-​methyl-​, ethyl ester
2-​Methyl-​1,​3-​thiazole-​5-​carboxylic acid ethyl ester; 2-​Methyl-​5-​ethoxycarbonylthiazo​le; 2-​Methylthiazole-​5-​carboxylic acid ethyl ester; Ethyl 2-​Methylthiazole-​5-​carboxylate; Ethyl 2-​methyl-​1,​3-​thiazole-​5-​carboxylate 
 
Chemical Formula: C7H9NO2S
Exact Mass: 171.04
Molecular Weight: 171.22
m/z: 171.04 (100.0%), 172.04 (7.8%), 173.03 (4.5%), 172.03 (1.2%)
Elemental Analysis: C, 49.10; H, 5.30; N, 8.18; O, 18.69; S, 18.73
 
InChI: InChI=1S/C7H9NO2S/c1-3-10-7(9)6-4-8-5(2)11-6/h4H,3H2,1-2H3
InChIKey: ORCQTMZHDQSNOJ-UHFFFAOYSA-N
Canonical SMILES : CCOC(=O)C1=CN=C(S1)C
 
Thermal Properties Value Condition Note
Boiling Point 117-120 °C   (1)CAS
Boiling Point 90-105 °C Press: 12 Torr (2)IC

Specification

98%

References
  1. (1) Schoberl, Alfons; Berichte der Deutschen Chemischen Gesellschaft [Abteilung] B: Abhandlungen 1940, V73B, P1240-52 CAPLUS
  2. (2) Mashraqui, Sabir H.; Journal of the American Chemical Society 1982, V104(16), P4461-5 CAPLUS
  3. (3) Fong, Mei; Australian Journal of Chemistry 2004, V57(6), P599-604 CAPLUS
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