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
  • 6,6'-Bis(diphenylphosphaneyl)-[1,1'-biphenyl]-2,2'-diol
  • tert-butyl (1-(1-(4-fluorobenzyl)-1H-benzo[d]imidazol-2-yl)pyrrolidin-3-yl)carbamate
  • Ethyl 4-methoxybenzofuran-2-carboxylate
  • Methyl 4-[2-(2-hydroxyethoxy)ethoxy]benzoate
  • 2-[4-chloro-2-[3-fluoro-5-(trifluoromethyl)benzoyl]phenoxy]-N-[4-(dimethylsulfamoyl)-2-methyl-phenyl]acetamide
  • 4-Chloro-6-fluorobenzo[D]thiazole-2-thiol
  • 7,8,9,10-tetrahydro-2,3-dimethyl-9-phenyl-Imidazo[2,1-a]isoquinoline-6-carboxamide
  • (Z)-di-tert-butyl diazene-1,2-dicarboxylate
  • [(5-Chloro-4-methyl-2-pentyloxyphenyl)sulfonyl](3-pyridylmethyl)amine
  • l-Aspartic acid dihexadecyl ester
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