2-methylmalononitrile
Names
[ CAS No. ]:
3696-36-4
[ 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
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%