2,2-dimethylpropanoyl cyanide

Modify Date: 2024-01-10 18:29:23

2,2-dimethylpropanoyl cyanide Structure
2,2-dimethylpropanoyl cyanide structure
 Common Name 2,2-dimethylpropanoyl cyanide
CAS Number 42867-40-3 Molecular Weight 111.14200
Density 0.94g/cm3 Boiling Point 146.7ºC at 760 mmHg
Molecular Formula C6H9NO Melting Point N/A
MSDS N/A Flash Point 42.5ºC

 Names

Name 2,2-dimethylpropanoyl cyanide
Synonym More Synonyms

 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

 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%

 Synonyms

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
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Related Compounds: More...
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[(2,2-Dimethylpropanoyl)oxy]acetic acid
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