2-methylmalononitrile

Names

[ Name ]:
2-methylmalononitrile

[Synonym ]:
tert-butylmercaptan
methyl malonitrile
TBM(TM)
2-methyl-propane-2-thiol
2-methyl-2-propanethio
methyl malononitrile
tertiarybutylmercaptan
2-Isobutanethiol
tert-Butylthiol
1,1-dimethylethanethiol
methylmalonodinitrile
2-methylpropanedinitrile
TERT-BUTANETHIOL
tert-C4H9SH
2-methyl-2propanethiol
tert-Butylmercaptane
2-methylmalonitrile
T-BUTYL MERCAPTAN

Chemical & Physical Properties

[ Density]:
0.98 g/cm3

[ Boiling Point ]:
197.5ºC at 760 mmHg

[ Molecular Formula ]:
C₄H₄N₂

[ Molecular Weight ]:
80.08800

[ Flash Point ]:
81.8ºC

[ Exact Mass ]:
80.03740

[ PSA ]:
47.58000

[ LogP ]:
0.66966

[ Index of Refraction ]:
1.645

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: OO4249200

CHEMICAL NAME :: Malononitrile, methyl-

CAS REGISTRY NUMBER :: 3696-36-4

BEILSTEIN REFERENCE NO. :: 1737753

LAST UPDATED :: 199612

DATA ITEMS CITED :: 2

MOLECULAR FORMULA :: C4-H4-N2

MOLECULAR WEIGHT :: 80.10

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Unreported

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 40 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: BCPCA6 Biochemical Pharmacology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.1- 1958- Volume(issue)/page/year: 14,1325,1965

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 130 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: PHLIDQ Pharmacochemistry Library. (Elsevier Science Pub. Co., Inc., 52 Vanderbilt Ave., New York, NY 10017) V.1- 1977- Volume(issue)/page/year: 8,73,1985

Safety Information

[ HS Code ]:
2926909090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

DownStream

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%