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CAS Number: 1128-05-8
1-(benzo[b]thiophen-3-yl)ethanone

Structure

1-(benzo[b]thiophen-3-yl)ethanone
Name: 1-(benzo[b]thiophen-3-yl)ethanone
Synonyms:
General Information
Product Number: 1128058

CAS Registry Number 1128-05-8
Name:
Ethanone, 1-​benzo[b]​thien-​3-​yl-
Ketone, benzo[b]thien-3-yl methyl (6CI,7CI,8CI)
1-(3-Benzo[b]thienyl)ethanone
1-(Benzo[b]thien-3-yl)ethanone
1-(Benzo[b]thiophen-3-yl)ethanone
3-Acetylbenzo[b]thiophene

 

Chemical Formula: C10H8OS
Exact Mass: 176.03
Molecular Weight: 176.23
m/z: 176.03 (100.0%), 177.03 (11.7%), 178.03 (4.8%)

 

InChI:InChI=1S/C10H8OS/c1-7(11)9-6-12-10-5-3-2-4-8(9)10/h2-6H,1H3

InChI Key:ZTTZKDDWXHQKSY-UHFFFAOYSA-N

Canonical SMILES:CC(=O)C1=CSC2=CC=CC=C21

 

Thermal Properties Value Condition Note
Boiling Point 156-162 °C Press: 7 Torr (1)CAS
Boiling Point 135-137 °C Press: 3 Torr (2)CAS
Boiling Point 135-137 °C Press: 3 Torr (3)CAS
Boiling Point 135-137 °C Press: 3 Torr (4)CAS
Boiling Point 112-115 °C Press: 0.05 Torr (5)CAS
Boiling Point 104-107 °C Press: 0.1 Torr (6)IC

Specification

98%

References
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  8. (9) Tosa, Monica Ioana; Tetrahedron: Asymmetry 2008, V19(17), P2068-2071 CAPLUS
  9. (11) Usmanov, R.; Doklady Akademii Nauk Tadzhikskoi SSR 1975, V18(12), P11-14 CAPLUS
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  13. (17) Martynoff, Modeste; Compt. rend. 1953, V236, P385-7 CAPLUS
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