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CAS Number: 41731-83-3
ethyl 2-bromothiazole-5-carboxylate

Structure

ethyl 2-bromothiazole-5-carboxylate
Name: ethyl 2-bromothiazole-5-carboxylate
Synonyms:
General Information
Product Number: 41731833
CAS Registry Number: 41731-83-3
Name:
5-​Thiazolecarboxylic acid, 2-​bromo-​, ethyl ester
2-​Bromo-​1,​3-​thiazole-​5-​carboxylic acid ethyl ester; 2-​Bromo-​5-​(ethoxycarbonyl)​thiazole; 2-​Bromothiazol-​5-​carboxylic acid ethyl ester; 2-​Bromothiazole-​5-​carboxylic acid ethyl ester; Ethyl 2-​bromo-​1,​3-​thiazole-​5-​carboxylate; Ethyl 2-​bromothiazole-​5-​carboxylate 
 
Chemical Formula: C6H6BrNO2S
Exact Mass: 234.93
Molecular Weight: 236.09
m/z: 236.93 (100.0%), 234.93 (97.8%), 237.93 (7.7%), 235.93 (7.6%), 238.92 (4.3%)
Elemental Analysis: C, 30.52; H, 2.56; Br, 33.85; N, 5.93; O, 13.55; S, 13.58
 
InChI: InChI=1S/C6H6BrNO2S/c1-2-10-5(9)4-3-8-6(7)11-4/h3H,2H2,1H3
InChIKey: KTYIFXLNIMPSKI-UHFFFAOYSA-N
Canonical SMILES : CCOC(=O)C1=CN=C(S1)Br
 
Thermal Properties Value Condition Note
Boiling Point 192-194 °C Press: 5 Torr (1)CAS
Boiling Point 72-75 °C Press: 0.1 Torr (2)IC
Boiling Point 68 °C Press: 11 Torr (3)CAS
Melting Point 60-61 °C Solv: ligroine (8032-32-4) (3)CAS
Melting Point 60-61 °C   (3)CAS
Melting Point 21-22 °C   (3)CAS

Specification

98%

References
  1. (1) Ganapathi, K.; Proceedings - Indian Academy of Sciences, Section A 1945, V22A, P362-78 CAPLUS
  2. (2) Balli, Heinz; Helvetica Chimica Acta 1976, V59(1), P155-64 CAPLUS
  3. (3) Klein, G.; Helvetica Chimica Acta 1954, V37, P2057-67 CAPLUS
  4. (4) Dunst, Cora; Journal of Organic Chemistry 2011, V76(16), P6972-6978 CAPLUS
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