Detail of "22720-75-8"

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CAS Number:
22720-75-8
Name:
Ethanone,1-benzo[b]thien-2-yl-
Superlist Name:
2-Acetylbenzo[b]thiophene
Molecular Structure:
Formula:
C₁₀H₈OS
Molecular Weight:
176.23
Synonyms:
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-Acetylbenzothiophene;
EINECS:
245-177-7
Density:
1.219 g/cm³
Melting Point:
86-88 ºC
Boiling Point:
304.5 ºC at 760 mmHg
Flash Point:
138 ºC
Appearance:
white to light yellow crystal powder
Hazard Symbols:
Xn
Risk Codes:
20/21/22-22
Safety:
36 Details

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Proton NMR spectra of the 2-(trifluoroacetyl) derivatives of benzo[b]furan and benzo[b]thiophene: Proton NMR spectra of the 2-(trifluoroacetyl) derivatives of benzo[b]furan and benzo[b]thiophene. Benassi, Rois; Folli, Ugo; Iarossi, Dario; Schenetti, Luisa; Taddei, Ferdinando (Ist. Chim. Org., Modena 41100, Italy). Org. Magn. Reson., 22(3), 197-8 (English) 1984.Several reagents with their cas registry numbers 22720-75-8 and 1646-26-0 are used here. CODEN: ORMRBD. ISSN: 0030-4921. DOCUMENT TYPE: Journal CA Section: 77 (Magnetic Phenomena) Section cross-reference(s): 22 The 1H NMR spectra of the 2-trifluroacetyl derivs. of benzo[b]-furan and benzo[b]thiophene were recorded at 200 MHz in 2 solvents, CHCl3 and acetone. A long-range coupling const., 5J(HF), between the F nuclei of the CF3C:O group and H-3, of a value higher than 1 Hz, was measured. From the comparison of the 1H chem. shifts of, and the solvent effects on, the trifluoroacetyl compds. and those of the corresponding 2-acetyl derivs., and on the basis of an empirical interpretation of the 5J(HF) coupling const., a predominant Z conformation was tentatively assigned to these derivs. .