Introduction：Basic information about CAS 3041-40-5|α-Cyano-o-tolunitrile, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | α-Cyano-o-tolunitrile |
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| CAS Number | 3041-40-5 | Molecular Weight | 142.157 |
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| Density | 1.1±0.1 g/cm3 | Boiling Point | 261.2±20.0 °C at 760 mmHg |
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| Molecular Formula | C9H6N2 | Melting Point | / |
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| MSDS | / | Flash Point | 117.5±15.7 °C |
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Names
| Name | 2-phenylpropanedinitrile |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.1±0.1 g/cm3 |
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| Boiling Point | 261.2±20.0 °C at 760 mmHg |
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| Molecular Formula | C9H6N2 |
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| Molecular Weight | 142.157 |
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| Flash Point | 117.5±15.7 °C |
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| Exact Mass | 142.053101 |
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| PSA | 47.58000 |
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| LogP | 1.72 |
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| Vapour Pressure | 0.0±0.5 mmHg at 25°C |
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| Index of Refraction | 1.551 |
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| InChIKey | OFCTVAYVCDCQDA-UHFFFAOYSA-N |
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| SMILES | N#CC(C#N)c1ccccc1 |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- OO4405300
- CHEMICAL NAME :
- Malononitrile, phenyl-
- CAS REGISTRY NUMBER :
- 3041-40-5
- BEILSTEIN REFERENCE NO. :
- 2044503
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C9-H6-N2
- MOLECULAR WEIGHT :
- 142.17
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Unreported
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 15 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
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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
| MALONONITRILE,PHENYL |
| α-Cyano-o-tolunitrile |
| o-Tolunitrile, α-cyano- |
| Homophthalonitrile |
| 2-(Cyanomethyl)benzonitrile |
| phenylmalonitrile |
| 2-(cyanophenyl)acetonitrile |
| Propanedinitrile,phenyl |
| Propanedinitrile, 2-phenyl- |
| α-Cyano-o-toluonitrile |
| Phenyl-malonitril |
| phenylpropanedinitrile |
| 2-Phenylmalononitrile |
| phenylmalonodinitrile |
| Phenylmalononitrile |
| Phenyl-malonitril [German] |
| Benzeneacetonitrile, 2-cyano- |
