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CAS Number: 91076-94-7
ethyl 3-amino-5-(4-chlorophenyl)thiophene-2-carboxylate

Structure

ethyl 3-amino-5-(4-chlorophenyl)thiophene-2-carboxylate
Name: ethyl 3-amino-5-(4-chlorophenyl)thiophene-2-carboxylate
Synonyms:
General Information
Product Number: 91076947
CAS Registry Number: 91076-94-7
Name:
2-​Thiophenecarboxylic acid, 3-​amino-​5-​(4-​chlorophenyl)​-​, ethyl ester
Ethyl 3-​amino-​5-​(4-​chlorophenyl)​thiophene-​2-​carboxylate 
 
Chemical Formula: C13H12ClNO2S
Exact Mass: 281.03
Molecular Weight: 281.76
m/z: 281.03 (100.0%), 283.02 (36.5%), 282.03 (15.1%), 284.03 (5.2%), 283.03 (1.5%), 285.02 (1.5%)
Elemental Analysis: C, 55.42; H, 4.29; Cl, 12.58; N, 4.97; O, 11.36; S, 11.38
 
InChI: InChI=1S/C13H12ClNO2S/c1-2-17-13(16)12-10(15)7-11(18-12)8-3-5-9(14)6-4-8/h3-7H,2,15H2,1H3
InChIKey: VOIKQRXCKXHXNF-UHFFFAOYSA-N
Canonical SMILES : CCOC(=O)C1=C(C=C(S1)C2=CC=C(C=C2)Cl)N
 
Thermal Properties Value Condition Note
Melting Point 106-107 °C   (1)CAS

Specification

98%

References
  1. (1) Shastin, A. V.; Russian Journal of Organic Chemistry 2006, V42(2), P238-240 CAPLUS
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