Introduction：Basic information about CAS 42867-40-3|2,2-dimethylpropanoyl cyanide, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 2,2-dimethylpropanoyl cyanide |
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| CAS Number | 42867-40-3 | Molecular Weight | 111.14200 |
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| Density | 0.94g/cm3 | Boiling Point | 146.7ºC at 760 mmHg |
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| Molecular Formula | C6H9NO | Melting Point | / |
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| MSDS | / | Flash Point | 42.5ºC |
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Names
| Name | 2,2-dimethylpropanoyl cyanide |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 0.94g/cm3 |
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| Boiling Point | 146.7ºC at 760 mmHg |
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| Molecular Formula | C6H9NO |
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| Molecular Weight | 111.14200 |
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| Flash Point | 42.5ºC |
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| Exact Mass | 111.06800 |
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| PSA | 40.86000 |
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| LogP | 1.12518 |
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| Index of Refraction | 1.417 |
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| InChIKey | NPBLQPWAISGYEU-UHFFFAOYSA-N |
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| SMILES | CC(C)(C)C(=O)C#N |
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| Storage condition | 2-8°C |
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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 DATAACUTE 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
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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
| 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 |
