Introduction:Basic information about CAS 79455-62-2|2-[4-(TERT-BUTYL)-1,3-THIAZOL-2-YL]ACETONITRILE, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 2-[4-(TERT-BUTYL)-1,3-THIAZOL-2-YL]ACETONITRILE |
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| CAS Number | 79455-62-2 | Molecular Weight | 180.27000 |
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| Density | 1.092g/cm3 | Boiling Point | 279.5ºC at 760 mmHg |
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| Molecular Formula | C9H12N2S | Melting Point | / |
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| MSDS | / | Flash Point | 122.8ºC |
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Names
| Name | 2-(4-tert-butyl-1,3-thiazol-2-yl)acetonitrile |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.092g/cm3 |
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| Boiling Point | 279.5ºC at 760 mmHg |
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| Molecular Formula | C9H12N2S |
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| Molecular Weight | 180.27000 |
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| Flash Point | 122.8ºC |
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| Exact Mass | 180.07200 |
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| PSA | 64.92000 |
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| LogP | 2.50668 |
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| Index of Refraction | 1.525 |
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| InChIKey | UQISVQVOVFZPGU-UHFFFAOYSA-N |
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| SMILES | CC(C)(C)c1csc(CC#N)n1 |
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Safety Information
| Hazard Codes | Xn:Harmful; |
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| Risk Phrases | R20/21/22 |
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| Safety Phrases | S36/37 |
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Synonyms
| 2-Cyanomethyl-4-tert-butylthiazole |
| 4-(1,1-Dimethylethyl)-1,3-thiazole-2-acetonitrile |
| 4-t-butylthiazol-2-ylacetonitrile |
| 2-[4-(tert-butyl)-1,3-thiazol-2-yl]acetonitrile |
| (4-tert-butyl-1,3-thiazol-2-yl)acetonitrile |