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CAS Number: 61689-36-9
ethyl 5-(4-chlorophenyl)-1,2,4-thiadiazole-3-carboxylate

Structure

ethyl 5-(4-chlorophenyl)-1,2,4-thiadiazole-3-carboxylate
Name: ethyl 5-(4-chlorophenyl)-1,2,4-thiadiazole-3-carboxylate
Synonyms:
General Information
Product Number: 61689369
CAS Registry Number: 61689-36-9
Name:
1,​2,​4-​Thiadiazole-​3-​carboxylic acid, 5-​(4-​chlorophenyl)​-​, ethyl ester
5-​(4-​Chlorophenyl)​-​[1,​2,​4]​thiadiazole-​3-​carboxylic acid ethyl ester 
 
Chemical Formula: C11H9ClN2O2S
Exact Mass: 268.01
Molecular Weight: 268.72
m/z: 268.01 (100.0%), 270.00 (36.5%), 269.01 (12.9%), 271.01 (4.5%), 272.00 (1.5%), 270.01 (1.2%)
Elemental Analysis: C, 49.17; H, 3.38; Cl, 13.19; N, 10.42; O, 11.91; S, 11.93
 
InChI: InChI=1S/C11H9ClN2O2S/c1-2-16-11(15)9-13-10(17-14-9)7-3-5-8(12)6-4-7/h3-6H,2H2,1H3
InChIKey: KJCPXZTZWDQJJU-UHFFFAOYSA-N
Canonical SMILES : CCOC(=O)C1=NSC(=N1)C2=CC=C(C=C2)Cl
 
Thermal Properties Value Condition Note
Melting Point 98.0-99.5 °C Solv: heptane (142-82-5) (1)IC
Melting Point 98-99.5 °C Solv: heptane (142-82-5) (2)CAS

Specification

98%

References
  1. (1) Howe, Robert K.; Journal of Organic Chemistry 1977, V42(10), P1813-14 CAPLUS
  2. (2) Wilkins, D. J.; Science of Synthesis 2004, V13, P277-295 CAPLUS
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