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CAS Number: 7597-68-4
ethyl 2-(benzo[b]thiophen-3-yl)acetate

Structure

ethyl 2-(benzo[b]thiophen-3-yl)acetate
Name: ethyl 2-(benzo[b]thiophen-3-yl)acetate
Synonyms:
General Information
Product Number: 7597684
CAS Registry Number: 7597-68-4
Name:
        Benzo[b]​thiophene-​3-​acetic acid, ethyl ester
        (Benzo[b]​thiophen-​3-​yl)​acetic acid ethyl ester; NSC 42320 
 
Chemical Formula: C12H12O2S
Exact Mass: 220.06
Molecular Weight: 220.29
m/z: 220.06 (100.0%), 221.06 (14.0%), 222.05 (4.5%), 222.06 (1.3%)
Elemental Analysis: C, 65.43; H, 5.49; O, 14.53; S, 14.56
 
InChI: InChI=1S/C12H12O2S/c1-2-14-12(13)7-9-8-15-11-6-4-3-5-10(9)11/h3-6,8H,2,7H2,1H3
InChIKey: QAJKYZFZTOKLRE-UHFFFAOYSA-N
Canonical SMILES : CCOC(=O)CC1=CSC2=CC=CC=C21
 
Thermal Properties Value Condition Note
Boiling Point 123-124 °C Press: 0.3 Torr (1)IC

Specification

98%

References
  1. (1) Campaigne, E.; Journal of Heterocyclic Chemistry 1979, V16(7), P1321-4 CAPLUS
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