2-Isopropyl-2-phenylacetonitrile

Modify Date: 2024-01-02 12:07:28

2-Isopropyl-2-phenylacetonitrile Structure
2-Isopropyl-2-phenylacetonitrile structure
Common Name 2-Isopropyl-2-phenylacetonitrile
CAS Number 5558-29-2 Molecular Weight 159.22800
Density 0.957g/cm3 Boiling Point 248.5ºC at 760mmHg
Molecular Formula C11H13N Melting Point N/A
MSDS N/A Flash Point 107.3ºC

 Names

Name 3-methyl-2-phenylbutanenitrile
Synonym More Synonyms

 Chemical & Physical Properties

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

 Safety Information

Hazard Codes T
Risk Phrases 20/21/22
Safety Phrases 26-36/37/39
RIDADR UN 3276
Packaging Group III
Hazard Class 6.1

 Synthetic Route

~91%

2-Isopropyl-2-phenylacetonitrile Structure

2-Isopropyl-2-p...

CAS#:5558-29-2

Literature: Barbasiewicz, Michal; Marciniak, Karolina; Fedorynski, Michal Tetrahedron Letters, 2006 , vol. 47, # 23 p. 3871 - 3874

~86%

2-Isopropyl-2-phenylacetonitrile Structure

2-Isopropyl-2-p...

CAS#:5558-29-2

Literature: Hartmann, Rolf W.; Batzl, Christine Journal of Medicinal Chemistry, 1986 , vol. 29, # 8 p. 1362 - 1369

~69%

2-Isopropyl-2-phenylacetonitrile Structure

2-Isopropyl-2-p...

CAS#: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

~%

2-Isopropyl-2-phenylacetonitrile Structure

2-Isopropyl-2-p...

CAS#:5558-29-2

Literature: Journal of the American Chemical Society, , vol. 77, p. 369,371

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2-Isopropyl-2-phenylacetonitrile Structure

2-Isopropyl-2-p...

CAS#:5558-29-2

Literature: Journal of the Chemical Society [Section] C: Organic, , p. 121 - 124

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2-Isopropyl-2-phenylacetonitrile Structure

2-Isopropyl-2-p...

CAS#:5558-29-2

Literature: Chemistry Letters, , p. 1779 - 1780

~%

2-Isopropyl-2-phenylacetonitrile Structure

2-Isopropyl-2-p...

CAS#:5558-29-2

Literature: Justus Liebigs Annalen der Chemie, , p. 1964 - 1971

~%

2-Isopropyl-2-phenylacetonitrile Structure

2-Isopropyl-2-p...

CAS#:5558-29-2

Literature: Tetrahedron Letters, , p. 707 - 710

~23%

2-Isopropyl-2-phenylacetonitrile Structure

2-Isopropyl-2-p...

CAS#: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

 Synonyms

3-methy-2-phenylbutyronitrile
2-phenyl-3-methylbutyronitrile
MFCD00019805
3-Methyl-2-phenylbutyronitrile
2-methyl-2-phenylbutyronitrile