4-ISOPROPYLPHENYLACETONITRILE

Modify Date: 2024-01-22 16:38:16

4-ISOPROPYLPHENYLACETONITRILE Structure
4-ISOPROPYLPHENYLACETONITRILE structure
Common Name 4-ISOPROPYLPHENYLACETONITRILE
CAS Number 4395-87-3 Molecular Weight 159.22800
Density 0.960 g/mL at 25 °C(lit.) Boiling Point 85-90 °C0.2 atm(lit.)
Molecular Formula C11H13N Melting Point N/A
MSDS Chinese Flash Point >230 °F

 Names

Name 4-isopropylphenylacetonitrile
Synonym More Synonyms

 Chemical & Physical Properties

Density 0.960 g/mL at 25 °C(lit.)
Boiling Point 85-90 °C0.2 atm(lit.)
Molecular Formula C11H13N
Molecular Weight 159.22800
Flash Point >230 °F
Exact Mass 159.10500
PSA 23.79000
LogP 2.87608
Index of Refraction n20/D 1.5125(lit.)

 Safety Information

Personal Protective Equipment Eyeshields;Gloves;half-mask respirator (US);multi-purpose combination respirator cartridge (US)
Hazard Codes Xi
Risk Phrases R20/21/22
Safety Phrases S23-S24/25
RIDADR 3276
WGK Germany 3
Packaging Group III
Hazard Class 6.1
HS Code 2926909090

 Synthetic Route

~99%

4-ISOPROPYLPHENYLACETONITRILE Structure

4-ISOPROPYLPHEN...

CAS#:4395-87-3

Literature: SMITHKLINE BEECHAM CORPORATION Patent: WO2009/47240 A1, 2009 ; Location in patent: Page/Page column 84 ; WO 2009/047240 A1

~%

4-ISOPROPYLPHENYLACETONITRILE Structure

4-ISOPROPYLPHEN...

CAS#:4395-87-3

Literature: Kissei Pharmaceutical Co., Ltd. Patent: EP1443041 A1, 2004 ; Location in patent: Page 18 ;

~%

4-ISOPROPYLPHENYLACETONITRILE Structure

4-ISOPROPYLPHEN...

CAS#:4395-87-3

Literature: Naarden International N.V. Patent: US4459224 A1, 1984 ;

~91%

4-ISOPROPYLPHENYLACETONITRILE Structure

4-ISOPROPYLPHEN...

CAS#:4395-87-3

Literature: Hjelmencrantz, Anders; Friberg, Annika; Berg, Ulf Journal of the Chemical Society. Perkin Transactions 2, 2000 , # 7 p. 1293 - 1300

~%

4-ISOPROPYLPHENYLACETONITRILE Structure

4-ISOPROPYLPHEN...

CAS#:4395-87-3

Literature: Kissei Pharmaceutical Co., Ltd. Patent: EP1331221 A1, 2003 ;

~%

4-ISOPROPYLPHENYLACETONITRILE Structure

4-ISOPROPYLPHEN...

CAS#:4395-87-3

Literature: Yamashita; Matsumura Bulletin of the Chemical Society of Japan, 1941 , vol. 16, p. 413,415 Full Text Show Details Bain Journal of the American Chemical Society, 1946 , vol. 68, p. 638,641

~67%

4-ISOPROPYLPHENYLACETONITRILE Structure

4-ISOPROPYLPHEN...

CAS#:4395-87-3

Literature: Toone; Jones Tetrahedron Asymmetry, 1991 , vol. 2, # 10 p. 1041 - 1052

~%

4-ISOPROPYLPHENYLACETONITRILE Structure

4-ISOPROPYLPHEN...

CAS#:4395-87-3

Literature: van Zanten,B.; Nauta,W. Recueil des Travaux Chimiques des Pays-Bas, 1960 , vol. 79, p. 1211 - 1222

~%

4-ISOPROPYLPHENYLACETONITRILE Structure

4-ISOPROPYLPHEN...

CAS#:4395-87-3

Literature: Ohloff Archiv der Pharmazie (Weinheim, Germany), 1954 , vol. 287, p. 272,278

 Customs

HS Code 2926909090
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%

 Synonyms

2-(4-Isopropylphenyl)acetonitrile
2-(4-propan-2-ylphenyl)acetonitrile
MFCD00040892
4-Isopropylphenylacetonitrile