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CAS Number: 64837-49-6
ethyl 5-chloro-1,3,4-thiadiazole-2-carboxylate

Structure

ethyl 5-chloro-1,3,4-thiadiazole-2-carboxylate
Name: ethyl 5-chloro-1,3,4-thiadiazole-2-carboxylate
Synonyms:
General Information
Product Number: 64837496
CAS Registry Number: 64837-49-6
Name:
1,​3,​4-​Thiadiazole-​2-​carboxylic acid, 5-​chloro-​, ethyl ester
5-​Chloro-​[1,​3,​4]​thiadiazole-​2-​carboxylic acid ethyl ester; Ethyl 2-​chloro-​1,​3,​4-​thiadiazole-​5-​carboxylate; Ethyl 5-​chloro-​1,​3,​4-​thiadiazole-​2-​carboxylate 
 
Chemical Formula: C5H5ClN2O2S
Exact Mass: 191.98
Molecular Weight: 192.62
m/z: 191.98 (100.0%), 193.97 (36.5%), 192.98 (6.3%), 194.98 (2.1%), 195.97 (1.5%)
Elemental Analysis: C, 31.18; H, 2.62; Cl, 18.41; N, 14.54; O, 16.61; S, 16.65
 
InChI: InChI=1S/C5H5ClN2O2S/c1-2-10-4(9)3-7-8-5(6)11-3/h2H2,1H3
InChIKey: YQWCUJDSRXQJRN-UHFFFAOYSA-N
Canonical SMILES : CCOC(=O)C1=NN=C(S1)Cl
 
Thermal Properties Value Condition Note
Boiling Point 110 °C Press: 0.02 Torr (1)IC
Melting Point 29 °C   (1)IC

Specification

98%

References
  1. (1) Demaree, Patricia; Canadian Journal of Chemistry 1977, V55(2), P243-50 CAPLUS
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