5558-29-2
- Name: 2-Isopropyl-2-phenylacetonitrile
- Chemical Name: 3-methyl-2-phenylbutanenitrile
- CAS Number: 5558-29-2
- Molecular Formula: C11H13N
- Molecular Weight: 159.22800
- Create Date: 2018-02-23 08:00:00
- Modify Date: 2025-08-25 11:56:59
| Name | 3-methyl-2-phenylbutanenitrile |
|---|---|
| Synonyms |
3-methy-2-phenylbutyronitrile
2-phenyl-3-methylbutyronitrile MFCD00019805 3-Methyl-2-phenylbutyronitrile 2-methyl-2-phenylbutyronitrile |
| Density | 0.957g/cm3 |
|---|---|
| Boiling Point | 248.5ºC at 760mmHg |
| Molecular Formula | C11H13N |
| Molecular Weight | 159.22800 |
| Flash Point | 107.3ºC |
| Exact Mass | 159.10500 |
| PSA | 23.79000 |
| LogP | 2.94978 |
| Index of Refraction | 1.505 |
| Hazard Codes | T |
|---|---|
| Risk Phrases | 20/21/22 |
| Safety Phrases | 26-36/37/39 |
| RIDADR | UN 3276 |
| Packaging Group | III |
| Hazard Class | 6.1 |
|
~91%
5558-29-2 |
| Literature: Barbasiewicz, Michal; Marciniak, Karolina; Fedorynski, Michal Tetrahedron Letters, 2006 , vol. 47, # 23 p. 3871 - 3874 |
|
~86%
5558-29-2 |
| Literature: Hartmann, Rolf W.; Batzl, Christine Journal of Medicinal Chemistry, 1986 , vol. 29, # 8 p. 1362 - 1369 |
|
~69%
5558-29-2 |
| Literature: Singh, N. P.; Kumar, A. Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry, 1985 , vol. 24, p. 1195 - 1196 |
|
~%
5558-29-2 |
| Literature: Journal of the American Chemical Society, , vol. 77, p. 369,371 |
|
~%
5558-29-2 |
| Literature: Journal of the Chemical Society [Section] C: Organic, , p. 121 - 124 |
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~%
5558-29-2 |
| Literature: Chemistry Letters, , p. 1779 - 1780 |
|
~%
5558-29-2 |
| Literature: Justus Liebigs Annalen der Chemie, , p. 1964 - 1971 |
|
~%
5558-29-2 |
| Literature: Tetrahedron Letters, , p. 707 - 710 |
|
~23%
5558-29-2 |
| Literature: Katagi, Toshiyuki; Mikami, Nobuyoshi; Matsuda, Tadashi; Miyamoto, Junshi Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999), 1989 , p. 779 - 782 |
