CAS:56326-98-8 / 1-(4-fluorophenyl)-4-oxocyclohexanecarbonitrile--Hangzhou Chempro Technology Co., Ltd.

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CAS Number: 56326-98-8
1-(4-fluorophenyl)-4-oxocyclohexanecarbonitrile

Structure
Name: 1-(4-fluorophenyl)-4-oxocyclohexanecarbonitrile
Synonyms:

General Information

Product Number: 56326988

CAS Registry Number 56326-98-8
Name:
Cyclohexanecarbonitrile, 1-(4-fluorophenyl)-4-oxo-
4-Cyano-4-(4-fluorophenyl)cyclohexan-1-one
4-Cyano-4-(4-fluorophenyl)cyclohexanone

Chemical Formula: C13H12FNO
Exact Mass: 217.09
Molecular Weight: 217.24
m/z: 217.09 (100.0%), 218.09 (14.5%)

InChI:InChI=1S/C13H12FNO/c14-11-3-1-10(2-4-11)13(9-15)7-5-12(16)6-8-13/h1-4H,5-8H2

InChI Key:FNWWTNNFZGBMEM-UHFFFAOYSA-N

Canonical SMILES:C1CC(CCC1=O)(C#N)C2=CC=C(C=C2)F

Thermal Properties	Value	Condition	Note
Melting Point	84-88 °C	Solv: ethyl ether (60-29-7)	(2)IC
Melting Point	80-84 °C		(1)CAS

Specification

98%

References

(1) DeGraffenreid, Michael R.; Journal of Organic Chemistry 2007, V72(19), P7455-7458 CAPLUS
(2) Lednicer, Daniel; Journal of Medicinal Chemistry 1975, V18(6), P593-9 CAPLUS

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