4-Cyano-4-(4-fluorophenyl)cyclohexanone

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Names

[ CAS No. ]:
56326-98-8

[ Name ]:
4-Cyano-4-(4-fluorophenyl)cyclohexanone

[Synonym ]:
Cyclohexanecarbonitrile, 1-(4-fluorophenyl)-4-oxo-
1-(4-fluorophenyl)-4-oxocyclohexane-1-carbonitrile
1-(4-Fluorophenyl)-4-oxocyclohexanecarbonitrile
4-Cyano-4-(4-fluorophenyl)cyclohexanone

Chemical & Physical Properties

[ Density]:
1.2±0.1 g/cm3

[ Boiling Point ]:
373.6±42.0 °C at 760 mmHg

[ Melting Point ]:
91-94ºC

[ Molecular Formula ]:
C13H12FNO

[ Molecular Weight ]:
217.239

[ Flash Point ]:
179.8±27.9 °C

[ Exact Mass ]:
217.090286

[ PSA ]:
40.86000

[ LogP ]:
1.59

[ Vapour Pressure ]:
0.0±0.8 mmHg at 25°C

[ Index of Refraction ]:
1.541

MSDS

Click to get detail MSDS

Safety Information

[ RIDADR ]:
UN3439

[ Packaging Group ]:
III

[ Hazard Class ]:
6.1

[ HS Code ]:
2926909090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • o-xylene
  • AM0210000 [RTECS]
  • acrylic acid methyl ester
  • Methyl propanoate

DownStream

  • 8-(4-fluorophenyl)-1,4-dioxaspiro[4.5]decane-8-carbonitrile

Customs

[ HS Code ]: 2926909090

[ Summary ]:
HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

Related Compounds

  • 4-cyano-4-(4-fluorophenyl)piperidine
  • 1-[4-Cyano-4-(4-fluorophenyl)cyclohexyl]-4-phenyl-4-piperidinecarboxylic acid hydrochloride (1:1)
  • methyl 4-cyano-4-[(4-fluorophenyl)amino]piperidine-1-carboxylate
  • dimethyl 4-cyano-4-(4-fluorophenyl)heptanedioate
  • 1-[4-cyano-4-(4-fluorophenyl)cyclohexyl]-3-methyl-4-phenylpiperidine-4-carboxylic acid monohydrochloride
  • benzyl 1-[4-cyano-4-(4-fluorophenyl)cyclohexyl]-3-methyl-4-phenylpiperidine-4-carboxylate