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CAS Number: 16810-19-8
acetaldehyde compound with benzo[b]thiophene (1:1)

Structure

 acetaldehyde compound with benzo[b]thiophene (1:1)
Name: acetaldehyde compound with benzo[b]thiophene (1:1)
Synonyms:
General Information
Product Number: 16810198

CAS Registry Number 16810-19-8
Name:
Ethanone, 1-?(2-?methylbenzo[b]?thien-?3-?yl)?-
Ketone, methyl 2-methylbenzo[b]thien-3-yl (6CI,7CI,8CI)
Benzo[b]thiophene, ethanone deriv.
1-(2-Methylbenzo[b]thiophen-3-yl)ethanone
3-Acetyl-2-methylbenzo[b]thiophene

 

Chemical Formula: C10H10OS
Exact Mass: 178.05
Molecular Weight: 178.25
m/z: 178.05 (100.0%), 179.05 (11.0%), 180.04 (4.5%)

 

InChI:InChI=1S/C11H10OS/c1-7(12)11-8(2)13-10-6-4-3-5-9(10)11/h3-6H,1-2H3

InChI Key:TVCALVRNHQYHHY-UHFFFAOYSA-N

Canonical SMILES:CC1=C(C2=CC=CC=C2S1)C(=O)C

 

Thermal Properties Value Condition Note
Boiling Point 184-188 °C Press: 23 Torr (1)CAS
Boiling Point 145-160 °C Press: 10 Torr (2)CAS
Melting Point 71-72 °C   (2)CAS
Melting Point 70-71 °C   (4)IC
Melting Point 69-70 °C   (6)CAS
Melting Point 68.5-70 °C   (6)CAS

Specification

98%
References
  1. (1) Shirley, David A.; Journal of Organic Chemistry 1958, V23, P1024-6 CAPLUS
  2. (2) Pailer, M.; Monatshefte fuer Chemie 1961, V92, P677-83 CAPLUS
  3. (4) Usmanov, R.; Doklady Akademii Nauk Tadzhikskoi SSR 1975, V18(12), P11-14 CAPLUS
  4. (6) Gaertner, Russell; Journal of the American Chemical Society 1952, V74, P766-7 CAPLUS
  5. (7) Luyksaar, S. I.; Russian Chemical Bulletin 2010, V59(2), P446-451 CAPLUS
  6. (8) Lonsky, Werner; Chemische Berichte 1975, V108(5), P1593-7 CAPLUS
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