CAS:21667-61-8 / 3-(3-fluorophenyl)-3-oxopropanenitrile--Hangzhou Chempro Technology Co., Ltd.

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CAS Number: 21667-61-8
3-(3-fluorophenyl)-3-oxopropanenitrile

Structure
Name: 3-(3-fluorophenyl)-3-oxopropanenitrile
Synonyms:

General Information

Product Number: 21667618

CAS Registry Number 21667-61-8
Name:
Benzenepropanenitrile, 3-fluoro-β-oxo-
Acetonitrile, (m-fluorobenzoyl)- (8CI)
3-(3-Fluorophenyl)-3-oxopropanenitrile
3-(3-Fluorophenyl)-3-oxopropionitrile
3-(3'-Fluorophenyl)-3-oxopropanenitrile
3-Oxo-3-(3-fluorophenyl)propanenitrile

Chemical Formula: C9H6FNO
Exact Mass: 163.04
Molecular Weight: 163.15
m/z: 163.04 (100.0%), 164.05 (9.8%)

InChI:InChI=1S/C9H6FNO/c10-8-3-1-2-7(6-8)9(12)4-5-11/h1-3,6H,4H2

InChI Key:UNGFCWRGMBVFAS-UHFFFAOYSA-N

Canonical SMILES:C1=CC(=CC(=C1)F)C(=O)CC#N

Thermal Properties	Value	Condition	Note
Melting Point	69-70 °C		(1)IC
Melting Point	69-70 °C		(2)IC

Specification

98%

References

(1) Hanifin, J. W.; Journal of Pharmaceutical Sciences 1979, V68(4), P535-6 CAPLUS
(2) Ridge, David N.; Journal of Medicinal Chemistry 1979, V22(11), P1385-9 CAPLUS

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