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CAS Number: 66611-15-2
1-(benzofuran-3-yl)ethanone

Structure

1-(benzofuran-3-yl)ethanone
Name: 1-(benzofuran-3-yl)ethanone
Synonyms:
General Information
Product Number: 66611152

CAS Registry Number 66611-15-2
Name:
Ethanone, 1-​(3-​benzofuranyl)​-
1-(Benzofuran-3-yl)ethanone
3-Acetylbenzofuran

 

Chemical Formula: C10H8O2
Exact Mass: 160.05
Molecular Weight: 160.17
m/z: 160.05 (100.0%), 161.06 (11.0%)

 

InChI:InChI=1S/C10H8O2/c1-7(11)9-6-12-10-5-3-2-4-8(9)10/h2-6H,1H3

InChI Key:CHGABJRZTFUHDT-UHFFFAOYSA-N

Canonical SMILES:CC(=O)C1=COC2=CC=CC=C21

 

Thermal Properties Value Condition Note
Boiling Point 120-135 °C Press: 14 Torr (1)CAS
Boiling Point 90-110 °C Press: 0.1 Torr (2)IC
Melting Point 39 °C Solv: ethanol (64-17-5) (4)CAS
Melting Point 37 °C   (5)CAS
Melting Point 36 °C   (1)CAS

Specification

98%

References
  1. (1) Martynoff, Modeste; Compt. rend. 1951, V233, P878-80 CAPLUS
  2. (2) Haefliger, Walter; Synthesis 1980, (3), P236-8 CAPLUS
  3. (4) Tosa, Monica Ioana; Tetrahedron: Asymmetry 2008, V19(17), P2068-2071 CAPLUS
  4. (5) Martynoff, M.; Bulletin de la Societe Chimique de France 1952, P1056-60 CAPLUS
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