Cyclohexanecarbonitrile,1,3,3-trimethyl-5-oxo-

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Names

[ CAS No. ]:
7027-11-4

[ Name ]:
Cyclohexanecarbonitrile,1,3,3-trimethyl-5-oxo-

[Synonym ]:
5-Oxo-1,3,3-trimethylcyclohexanecarbonitrile
3-Cyano-3,5,5-trimethylcyclohexanone
Cychohexanecarbonitrile,1,3,3-trimethyl-5-oxo
3,3,5-Trimethyl-5-cyanocyclohexanone
Cyclohexanecarbonitrile,1,3,3-trimethyl-5-oxo
isophoronenitrile
1,3,3-trimethyl-5-oxo-cyclohexane-carbonitrile
cyano-3 trimethyl-3,5,5 cyclohexanone

Chemical & Physical Properties

[ Density]:
1.53g/cm3

[ Boiling Point ]:
677.2ºC at 760 mmHg

[ Molecular Formula ]:
C10H15NO

[ Molecular Weight ]:
165.23200

[ Flash Point ]:
363.3ºC

[ Exact Mass ]:
165.11500

[ PSA ]:
40.86000

[ LogP ]:
2.29548

[ Index of Refraction ]:
1.701

Safety Information

[ Hazard Codes ]:
Xn

[ Risk Phrases ]:
22-43-48/22-52/53

[ HS Code ]:
2926909090

Synthetic Route

Precursor & DownStream

Precursor

  • Isophorone
  • HYDROGEN CYANIDE
  • Phosphoric acid
  • (Cyano-κC)(diethyl)aluminium
  • POTASSIUM CYANIDE
  • N,N,N-Triethylethanaminium cyanide
  • 3-cyano-3,5,5-trimethyl cyclohexane
  • Tetrapropylammonium bromide

DownStream

  • Isophorone diamine
  • 3-(aminomethyl)-3,5,5-trimethylcyclohexanamine
  • 3-aminomethyl-3,5,5-trimethylcyclohexan-1-ol
  • 5-imino-1,3,3-trimethylcyclohexane-1-carbonitrile
  • 1,3,3-Trimethyl-5-oxocyclohexanecarboxylic acid
  • (1,3,3-triMethylcyclohexyl)MethanaMine

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

  • (+/-)-(1RS,2SR)-2-<2-(2-methoxyphenyl)-ethyl>-1,3,3-trimethyl-5-oxocyclohexanecarbonitrile
  • Methoxy-phenyl-(1,3,3-trimethyl-5-oxo-cyclohexyl)-acetonitrile
  • 3-methoxycarbonyl-3,5,5-trimethylcyclohexanone
  • diethyl 3-phosphono-3,5,5-trimethylcyclohexanone
  • oxydiethylene bis[[[1,3,3-trimethyl-5-[[(2-methyl-6-oxo-1-piperidyl)carbonyl]amino]cyclohexyl]methyl]carbamate]
  • methyl 2-(p-methoxybenzyl)-4-oxo-1,3,3-trimethyl-5-piperidinecarboxylate hydrochloride
  • (I+/-S)-3-Bromo-I+/--(2,2-dimethylpropyl)benzenemethanamine
  • 2-(4-Bromo-5-methylthiophen-2-yl)-2-hydroxyacetic acid
  • Tert-butyl 6-(morpholinomethyl)pyridin-2-ylcarbamate
  • 2-(4-Bromo-5-chlorothiophen-2-yl)-2-hydroxyacetic acid
  • (1R,3R)-1-(1,3-benzodioxol-5-yl)-2-(2-chloroacetyl)-2,3,4,9-tetrahydro-1H-Pyrido[3,4-b]indole-3-carboxylic acid
  • Methyl 2-(4-bromo-5-methylthiophen-2-yl)-2-hydroxyacetate
  • 3-(3-(2-Methoxyethyl)-1,2,4-oxadiazol-5-yl)propan-1-amine
  • Methyl 2-(4-bromo-5-chlorothiophen-2-yl)-2-hydroxyacetate
  • 3-methoxy-N-methyl-1-phenylpropan-1-amine
  • 3-Bromo-2-methyl-5-(2-nitroethenyl)thiophene
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