Introduction：Basic information about CAS 5558-29-2|2-Isopropyl-2-phenylacetonitrile, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 2-Isopropyl-2-phenylacetonitrile |
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| CAS Number | 5558-29-2 | Molecular Weight | 159.22800 |
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| Density | 0.957g/cm3 | Boiling Point | 248.5ºC at 760mmHg |
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| Molecular Formula | C11H13N | Melting Point | / |
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| MSDS | / | Flash Point | 107.3ºC |
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Names
| Name | 3-methyl-2-phenylbutanenitrile |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 0.957g/cm3 |
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| Boiling Point | 248.5ºC at 760mmHg |
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| Molecular Formula | C11H13N |
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| Molecular Weight | 159.22800 |
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| Flash Point | 107.3ºC |
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| Exact Mass | 159.10500 |
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| PSA | 23.79000 |
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| LogP | 2.94978 |
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| Index of Refraction | 1.505 |
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| InChIKey | IAZOLAFPWWQXGU-UHFFFAOYSA-N |
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| SMILES | CC(C)C(C#N)c1ccccc1 |
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Safety Information
| Hazard Codes | T |
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| Risk Phrases | 20/21/22 |
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| Safety Phrases | 26-36/37/39 |
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| RIDADR | UN 3276 |
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| Packaging Group | III |
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| Hazard Class | 6.1 |
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Synonyms
| 3-methy-2-phenylbutyronitrile |
| 2-phenyl-3-methylbutyronitrile |
| MFCD00019805 |
| 3-Methyl-2-phenylbutyronitrile |
| 2-methyl-2-phenylbutyronitrile |
