2-Oxocyclohexanepropiononitrile

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Names

[ CAS No. ]:
4594-78-9

[ Name ]:
2-Oxocyclohexanepropiononitrile

[Synonym ]:
EINECS 224-991-6
2-Oxocyclohexane-2-propionitrile,3-(2-Oxocyclohexyl)propionitrile
2-Oxo-1-cyclohexanepropionitrile
3-(2-Oxocyclohexyl)propanenitrile
2-Oxocyclohexanepropionitrile
MFCD00013797
2-(2-Cyanoethyl)cyclohexanone

Chemical & Physical Properties

[ Density]:
1.024 g/mL at 20 °C(lit.)

[ Boiling Point ]:
138-142 °C (10 mmHg)

[ Molecular Formula ]:
C9H13NO

[ Molecular Weight ]:
151.20600

[ Flash Point ]:
135.6ºC

[ Exact Mass ]:
151.10000

[ PSA ]:
40.86000

[ LogP ]:
2.04948

[ Index of Refraction ]:
n20/D 1.474

MSDS

Click to get detail MSDS

Safety Information

[ Symbol ]:

GHS07

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H302-H312-H332

[ Precautionary Statements ]:
P280

[ Personal Protective Equipment ]:
Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter

[ Hazard Codes ]:
Xn:Harmful;

[ Risk Phrases ]:
R20/21

[ Safety Phrases ]:
S36

[ RIDADR ]:
UN3276

[ WGK Germany ]:
3

[ Packaging Group ]:
III

[ Hazard Class ]:
6.1

[ HS Code ]:
2926909090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 3-(1,5-dithiaspiro[5.5]undecan-7-yl)propanenitrile
  • Cyclohexanone
  • Acrylonitrile
  • 1-pyrrolidinocyclohexene
  • 2,2-dibutyl-3-(cyclohex-1-en-1-yl)-1,3,2-oxazastannolidine
  • ethyl 1-(2-cyanoethyl)-2-oxocyclohexane-1-carboxylate
  • Cyclohexylamine
  • N-cyclohexenylisoxazolidine

DownStream

  • 2-(3-Aminopropyl)cyclohexanamine
  • trans-Decahydroquinoline
  • Azelaic acid
  • Cyclohexanepropionic acid
  • 8-cyanooctanoic acid
  • 9-aminononanoic acid
  • 3,4,5,6,7,8-HEXAHYDRO-2(1H)-QUINOLINONE
  • methyl 3-(2-oxocyclohexyl)propanoate
  • 2-(3-oxobutyl)cyclohexan-1-one

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%

Articles

Katritzky AR and Talyor RJK

Comprehensive Organic Functional Group Transformations II , (2004), 2986

Purich DL

Enzyme Kinetics and Mechanism, Part F , (2002) 354 , 109


More Articles

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