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CAS Number: 22720-75-8
1-(benzo[b]thiophen-2-yl)ethanone

Structure

1-(benzo[b]thiophen-2-yl)ethanone
Name: 1-(benzo[b]thiophen-2-yl)ethanone
Synonyms:
General Information
Product Number: 22720758

CAS Registry Number 22720-75-8
Name:
Ethanone, 1-​benzo[b]​thien-​2-​yl-
Ketone, benzo[b]thien-2-yl methyl (7CI,8CI)
1-(Benzo[b]thiophen-2-yl)ethan-1-one
1-Benzo[b]thiophen-2-ylethanone
2-Acetylbenzo[b]thiophene
2-Acetylbenzothiophene

 

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)10-6-8-4-2-3-5-9(8)12-10/h2-6H,1H3

InChI Key:SGSGCQGCVKWRNM-UHFFFAOYSA-N

Canonical SMILES:CC(=O)C1=CC2=CC=CC=C2S1

 

Thermal Properties Value Condition Note
Melting Point 88-89 °C   (7)CAS
Melting Point 88-89 °C   (8)CAS
Melting Point 88 °C Solv: ethanol (64-17-5) (3)CAS
Melting Point 87-88 °C   (9)CAS
Melting Point 86.6-87.0 °C   (4)CAS
Melting Point 86-88 °C   (10)IC
Melting Point 86-87 °C   (11)IC
Melting Point See full text   (12)CAS

Specification

98%

References
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  2. (4) Yokoyama, Yasushi; Angewandte Chemie, International Edition 2009, V48(25), P4521-4523, S4521/1-S4521/25 CAPLUS
  3. (7) Mayer, Fritz; Annalen der Chemie, Justus Liebigs 1931, V488, P259-96 CAPLUS
  4. (8) Martynoff, Modeste; Compt. rend. 1952, V234, P736-8 CAPLUS
  5. (9) Farrar, Martin W.; Journal of the American Chemical Society 1950, V72, P4433-6 CAPLUS
  6. (10) Leardini, Rino; Journal of the Chemical Society, Chemical Communications 1985, (20), P1390-1 CAPLUS
  7. (11) Hsiao, Chi Nung; Synthetic Communications 1990, V20(11), P1687-95 CAPLUS
  8. (12) Sarker, Ananda M.; Chemistry of Materials 2001, V13(11), P3949-3953 CAPLUS
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