3-(2-Methyl-2-propanyl)benzonitrile

Modify Date: 2025-08-23 16:43:33

3-(2-Methyl-2-propanyl)benzonitrile Structure
3-(2-Methyl-2-propanyl)benzonitrile structure
 Common Name 3-(2-Methyl-2-propanyl)benzonitrile
CAS Number 154532-34-0 Molecular Weight 159.228
Density 1.0±0.1 g/cm3 Boiling Point 238.4±9.0 °C at 760 mmHg
Molecular Formula C11H13N Melting Point 238ºC
MSDS N/A Flash Point 97.9±11.2 °C

 Names

Name 3-(tert-Butyl)benzonitrile
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.0±0.1 g/cm3
Boiling Point 238.4±9.0 °C at 760 mmHg
Melting Point 238ºC
Molecular Formula C11H13N
Molecular Weight 159.228
Flash Point 97.9±11.2 °C
Exact Mass 159.104797
PSA 23.79000
LogP 3.34
Vapour Pressure 0.0±0.5 mmHg at 25°C
Index of Refraction 1.512

 Safety Information

HS Code 2926909090

 Synthetic Route

3-tert-butylbromobenzene structure

3-tert-butylbro...

CAS#:3972-64-3

~%

3-(2-Methyl-2-propanyl)benzonitrile Structure

3-(2-Methyl-2-p...

CAS#:154532-34-0

Literature: Newman; Easterbrook Journal of the American Chemical Society, 1955 , vol. 77, p. 3763,3764
Isophthalonitrile structure

Isophthalonitrile

CAS#:626-17-5

sodium pivalate structure

sodium pivalate

CAS#:1184-88-9

~17%

3-(2-Methyl-2-propanyl)benzonitrile Structure

3-(2-Methyl-2-p...

CAS#:154532-34-0

Literature: Itou, Tatsuya; Yoshimi, Yasuharu; Morita, Toshio; Tokunaga, Yuji; Hatanaka, Minoru Tetrahedron, 2009 , vol. 65, # 1 p. 263 - 269
Isophthalonitrile structure

Isophthalonitrile

CAS#:626-17-5

Phenanthrene structure

Phenanthrene

CAS#:85-01-8

sodium pivalate structure

sodium pivalate

CAS#:1184-88-9

~30%

9,10-dihydrophenanthrene-9-carbonitrile structure

9,10-dihydrophe...

CAS#:56666-55-8

Detail
Literature: Itou, Tatsuya; Yoshimi, Yasuharu; Morita, Toshio; Tokunaga, Yuji; Hatanaka, Minoru Tetrahedron, 2009 , vol. 65, # 1 p. 263 - 269
3-(t-Butyl)phenol structure

3-(t-Butyl)phenol

CAS#:585-34-2

~%

3-(2-Methyl-2-propanyl)benzonitrile Structure

3-(2-Methyl-2-p...

CAS#:154532-34-0

Literature: Sandgren, Veronica; Agback, Tatiana; Johansson, Per-Ola; Lindberg, Jimmy; Kvarnstroem, Ingemar; Samuelsson, Bertil; Belda, Oscar; Dahlgren, Anders Bioorganic and Medicinal Chemistry, 2012 , vol. 20, # 14 p. 4377 - 4389
N/A structure

N/A

CAS#:253185-03-4

~%

2,3-Dimethyl-2,3-diphenylbutane structure

2,3-Dimethyl-2,...

CAS#:1889-67-4

4-t-butylbenzonitrile structure

4-t-butylbenzon...

CAS#:4210-32-6

2-(1,1-Dimethylethyl)benzonitrile structure

2-(1,1-Dimethyl...

CAS#:68527-72-0

Detail
Literature: So, Y. H.; Miller, Larry L. Journal of the American Chemical Society, 1981 , vol. 103, # 14 p. 4204 - 4209
N/A structure

N/A

CAS#:253185-03-4

cyanogen structure

cyanogen

CAS#:460-19-5

~%

2,3-Dimethyl-2,3-diphenylbutane structure

2,3-Dimethyl-2,...

CAS#:1889-67-4

2-(1,1-Dimethylethyl)benzonitrile structure

2-(1,1-Dimethyl...

CAS#:68527-72-0

Detail
Literature: So, Y. H.; Miller, Larry L. Journal of the American Chemical Society, 1981 , vol. 103, # 14 p. 4204 - 4209
N/A structure

N/A

CAS#:253185-03-4

cyanogen structure

cyanogen

CAS#:460-19-5

~%

4-t-butylbenzonitrile structure

4-t-butylbenzon...

CAS#:4210-32-6

2-(1,1-Dimethylethyl)benzonitrile structure

2-(1,1-Dimethyl...

CAS#:68527-72-0

Detail
Literature: So, Y. H.; Miller, Larry L. Journal of the American Chemical Society, 1981 , vol. 103, # 14 p. 4204 - 4209

 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

Benzonitrile, 3-(1,1-dimethylethyl)-
3-tert-Butylbenzonitrile
3-(2-Methyl-2-propanyl)benzonitrile
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