2,2-dimethylpropanoyl cyanide

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Names

[ CAS No. ]:
42867-40-3

[ Name ]:
2,2-dimethylpropanoyl cyanide

[Synonym ]:
Trimethylacetyl cyanide
Trimethylpyruvonitrile
Butanenitrile,3,3-dimethyl-2-oxo
3,3-Dimethyl-2-oxobutyronitrile
Pivaloyl cyanide
EINECS 255-978-3
trimethylpyruvic acid nitrile
3,3-dimethyl-2-oxobutanenitrile

Chemical & Physical Properties

[ Density]:
0.94g/cm3

[ Boiling Point ]:
146.7ºC at 760 mmHg

[ Molecular Formula ]:
C6H9NO

[ Molecular Weight ]:
111.14200

[ Flash Point ]:
42.5ºC

[ Exact Mass ]:
111.06800

[ PSA ]:
40.86000

[ LogP ]:
1.12518

[ Index of Refraction ]:
1.417

[ Storage condition ]:
2-8°C

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
EK4856000
CHEMICAL NAME :
Butanenitrile, 3,3-dimethyl-2-oxo-
CAS REGISTRY NUMBER :
42867-40-3
LAST UPDATED :
199712
DATA ITEMS CITED :
3
MOLECULAR FORMULA :
C6-H9-N-O

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
50 uL/kg
TOXIC EFFECTS :
Behavioral - hallucinations, distorted perceptions Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - respiratory depression
REFERENCE :
NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0555468
TYPE OF TEST :
LC50 - Lethal concentration, 50 percent kill
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
258 mg/m3/4H
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Behavioral - ataxia Lungs, Thorax, or Respiration - chronic pulmonary edema
REFERENCE :
NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0555468

Safety Information

[ HS Code ]:
2926909090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Trimethylsilyl cyanide
  • tri-n-butylcyanotin
  • Pivaloyl chloride
  • 2,2-dimethylpropionyl bromide
  • Copper cyanide
  • (3,3-dimethyl-1-nitroso-2-oxobutyl)triphenylphosphonium chloride
  • 4-azido-5-tert-butyl-1,2-oxazole

DownStream

  • (3-bromoanilino) 2,2-dimethylpropanoate
  • 4-Amino-6-(tert-butyl)-3-mercapto-1,2,4-triazin-5(4H)-one
  • triethylsilylformonitrile
  • anilino 2,2-dimethylpropanoate
  • N-(4-chloro-2-hydroxyphenyl)-2,2-dimethylpropanamide
  • [cyano(phenyl)methyl] 2,2-dimethylpropanoate

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

  • 2,2-dimethylpropanoyl iodide
  • 2,2-dimethylpropanoyl isocyanide
  • [(2,2-Dimethylpropanoyl)amino]acetic acid
  • [(2,2-Dimethylpropanoyl)oxy]acetic acid
  • 2,2-dimethylpropanoyl hexaneperoxoate
  • N-(2,2-DIMETHYLPROPANOYL)-2-FLUOROANILINE
  • (S)-tert-butyl 3-(4-aMino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyriMidin-1-yl)piperidine-1-carboxylate
  • (3S,4R)-4-(4-methoxyphenyl)-1-methylpyrrolidine-3-carboxylic acid
  • 6-ethoxy-N-(2-fluorophenyl)pyrimidine-4-carboxamide
  • 6-ethoxy-N-methyl-N-phenylpyrimidine-4-carboxamide
  • (3R)-3-(4-Methoxy-2,3-dimethylphenyl)morpholine
  • 1-Bromo-2,4-bis(hexyloxy)benzene
  • 3-[(3-Fluorophenyl)methyl]-5-methyl-1,2-oxazole-4-carboxylic acid
  • Ethyl 2-({[2-(tert-butoxy)-2-oxoethyl]amino}methyl)pyridine-4-carboxylate
  • 3-(oxan-4-yl)-1H-1,2,4-triazole
  • 3-Iodo-1-(oxetan-3-yl)-1H-pyrrolo[3,2-c]pyridine
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