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CAS Number: 90843-31-5
1-(2,3-dihydrobenzofuran-5-yl)ethanone

Structure

1-(2,3-dihydrobenzofuran-5-yl)ethanone
Name: 1-(2,3-dihydrobenzofuran-5-yl)ethanone
Synonyms:
General Information
Product Number: 90843315

CAS Registry Number 90843-31-5
Name:
Ethanone, 1-​(2,​3-​dihydro-​5-​benzofuranyl)​-
Ketone, 2,3-dihydro-5-benzofuranyl methyl (6CI,7CI)
1-(2,3-Dihydro-1-benzofuran-5-yl)ethanone
1-(2,3-Dihydro-5-benzofuranyl)ethanone
5-Acetyl-2,3-dihydrobenzo[b]furan
5-Acetyl-2,3-dihydrobenzofuran

 

Chemical Formula: C10H10O2
Exact Mass: 162.07
Molecular Weight: 162.19
m/z: 162.07 (100.0%), 163.07 (11.0%)

 

InChI:InChI=1S/C10H10O2/c1-7(11)8-2-3-10-9(6-8)4-5-12-10/h2-3,6H,4-5H2,1H3

InChI Key:MMVUJVASBDVNGJ-UHFFFAOYSA-N

Canonical SMILES:CC(=O)C1=CC2=C(C=C1)OCC2

 

Thermal Properties Value Condition Note
Boiling Point 170-171 °C Press: 21 Torr (1)CAS
Boiling Point 168 °C Press: 22 Torr (2)CAS
Boiling Point 168 °C Press: 22 Torr (3)CAS
Boiling Point 80-83 °C Press: 0.2 Torr (4)CAS
Melting Point 62 °C   (2)CAS
Melting Point 62 °C   (3)CAS

Specification

98%

References

(1) Brown, Herbert C.; Journal of the American Chemical Society 1961, V83, P4825-9 CAPLUS
(2) Chatelus, Georges; Compt. rend. 1947, V224, P1777-9 CAPLUS
(3) Chatelus, Georges; Ann. chim. [12] 1949, V4, P505-47 CAPLUS
(4) BE 633973 1963 CAPLUS
(5) Baddeley, G.; Journal of the Chemical Society 1958, P4665-8 CAPLUS
(6) Dunn, James P.; Journal of Medicinal Chemistry 1986, V29(11), P2326-9 CAPLUS
(7) Hay, Michael P.; Journal of Medicinal Chemistry 2008, V51(21), P6853-6865 CAPLUS

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