Introduction：Basic information about CAS 3696-36-4|2-methylmalononitrile, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 2-methylmalononitrile |
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| CAS Number | 3696-36-4 | Molecular Weight | 80.08800 |
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| Density | 0.98 g/cm3 | Boiling Point | 197.5ºC at 760 mmHg |
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| Molecular Formula | C4H4N2 | Melting Point | / |
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| MSDS | / | Flash Point | 81.8ºC |
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Names
| Name | 2-methylmalononitrile |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 0.98 g/cm3 |
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| Boiling Point | 197.5ºC at 760 mmHg |
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| Molecular Formula | C4H4N2 |
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| Molecular Weight | 80.08800 |
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| Flash Point | 81.8ºC |
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| Exact Mass | 80.03740 |
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| PSA | 47.58000 |
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| LogP | 0.66966 |
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| Index of Refraction | 1.645 |
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| InChIKey | LXUTYOVUICAOGH-UHFFFAOYSA-N |
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| SMILES | CC(C#N)C#N |
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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 DATAACUTE 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
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Safety Information
Customs
| HS Code | 2926909090 |
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| 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% |
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Synonyms
| 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 |
