(4-tert-Butylphenyl)acetonitrile

Base Information Edit

Chemical Name:(4-tert-Butylphenyl)acetonitrile
CAS No.:3288-99-1
Molecular Formula:C12H15N
Molecular Weight:173.258
Hs Code.:2926909090
European Community (EC) Number:221-944-1
NSC Number:85354
UNII:JJV56A2CNJ
DSSTox Substance ID:DTXSID8052011
Nikkaji Number:J262.391I
Wikidata:Q72504007
Mol file:3288-99-1.mol

Synonyms:3288-99-1;4-TERT-BUTYLPHENYLACETONITRILE;2-[4-(tert-Butyl)phenyl]ethanenitrile;(4-tert-Butylphenyl)acetonitrile;2-(4-tert-butylphenyl)acetonitrile;p-tert-Butylbenzylcyanide;2-(4-(tert-Butyl)phenyl)acetonitrile;4-tert-Butylbenzyl cyanide;Benzeneacetonitrile, 4-(1,1-dimethylethyl)-;Acetonitrile, (p-tert-butylphenyl)-;4-(tert-Butyl)phenylacetonitrile;JJV56A2CNJ;p-tert-Butylbenzeneacetontrile;p-tert-Butylbenzeneacetonitrile;(p-tert-Butylphenyl)acetonitrile;4-tertbutylbenzyl cyanide;EINECS 221-944-1;NSC 85354;NSC-85354;4-(1,1-Dimethylethyl)benzeneacetonitrile;4-tert-Butylphenyl-acetonitrile;4-TERT-BUTYL BENZYL CYANIDE;NSC85354;butylphenylacetonitrile;UNII-JJV56A2CNJ;4-tert-Butyl benzylcyanide;4-t-Butylphenylacetonitrile;p-Tert.butyl-benzyl cyanide;p-t-Butylphenyl acetonitrile;(4-t-Butylphenyl)acetonitrile;4-(tert-Butyl)benzyl cyanide;SCHEMBL105433;p-tert-butylphenyl acetonitrile;DTXSID8052011;P-TERT-BUTYLBENZYL CYANIDE;(4-tert-Butyl-phenyl)-acetonitrile;2-(4-tert-butylphenyl)ethanenitrile;CCG-40558;MFCD00128112;Benzeneacetonitrile,1-dimethylethyl)-;(4 - tert - butylphenyl)acetonitrile;AKOS000152109;AC-2579;CS-W019037;GS-3131;4-(1,1-Dimethylethyl)phenylacetonitrile;AM20040182;B5935;FT-0602573;EN300-41252;A821491;A821933;W-106809;F0001-0974;Z285184590

Suppliers and Price of (4-tert-Butylphenyl)acetonitrile

Supply Marketing:Edit

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
2-(4-tert-Butylphenyl)acetonitrile
10g
$ 65.00

TCI Chemical
4-tert-Butylphenylacetonitrile
25G
$ 37.00

SynQuest Laboratories
(4-tert-Butylphenyl)acetonitrile 97%
25 g
$ 77.00

SynQuest Laboratories
(4-tert-Butylphenyl)acetonitrile 97%
100 g
$ 152.00

SynQuest Laboratories
(4-tert-Butylphenyl)acetonitrile 97%
5 g
$ 16.00

Matrix Scientific
2-[4-(tert-Butyl)phenyl]ethanenitrile 95+%
100g
$ 68.00

Matrix Scientific
2-[4-(tert-Butyl)phenyl]ethanenitrile 95+%
25g
$ 21.00

Crysdot
2-(4-(tert-Butyl)phenyl)acetonitrile 95%
500g
$ 222.00

Chemenu
2-(4-(tert-Butyl)phenyl)acetonitrile 95%
500g
$ 196.00

Biosynth Carbosynth
4-tert-Butylbenzylcyanide
50 g
$ 180.00

Total 106 raw suppliers

Chemical Property of (4-tert-Butylphenyl)acetonitrile Edit

Chemical Property:

Vapor Pressure:0.00665mmHg at 25°C
Refractive Index:1.505
Boiling Point:270.9 °C at 760 mmHg
Flash Point:120.4 °C
PSA：23.79000
Density:0.95 g/cm³
LogP:3.05018
Storage Temp.:Sealed in dry,Room Temperature
XLogP3:3.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:173.120449483
Heavy Atom Count:13
Complexity:195

Purity/Quality:

99% ^*data from raw suppliers

2-(4-tert-Butylphenyl)acetonitrile ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xi
Hazard Codes:Xi
Statements: 20/21/22-36/37/38
Safety Statements: 26-36/37/39

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)(C)C1=CC=C(C=C1)CC#N

Technology Process of (4-tert-Butylphenyl)acetonitrile

There total 31 articles about (4-tert-Butylphenyl)acetonitrile which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 99.0%

: 18880-00-7
1-(bromomethyl)-4-(1,1-dimethylethyl)benzene

: 3288-99-1
4-tert-butylbenzyl cyanide

Guidance literature:

Reference yield: 97.7%

: 3972-56-3
4-(tert-butyl)chlorobenzene

: 105-56-6
ethyl 2-cyanoacetate

: 3288-99-1
4-tert-butylbenzyl cyanide

Guidance literature:: ethyl 2-cyanoacetate; With potassium tert-butylate; In tert-butyl alcohol; at 98 ℃; for 0.5h; under 3420.23 Torr; Inert atmosphere;

4-(tert-butyl)chlorobenzene; In dimethyl sulfoxide; tert-butyl alcohol; at 112 ℃; for 2.5h; under 3800.26 Torr; Inert atmosphere;

With water; In dimethyl sulfoxide; tert-butyl alcohol; at 142 ℃; for 5h; under 6080.41 Torr; Temperature; Pressure; Inert atmosphere;

Reference yield: 97.2%

: 13361-30-3
isopropyl cyanoacetate

: 35779-04-5
1-tert-butyl-4-iodobenzene

: 3288-99-1
4-tert-butylbenzyl cyanide

Guidance literature:: isopropyl cyanoacetate; With potassium tert-butylate; In tert-butyl alcohol; at 105 ℃; for 0.666667h; under 3800.26 Torr; Inert atmosphere;

1-tert-butyl-4-iodobenzene; In dimethyl sulfoxide; tert-butyl alcohol; at 120 ℃; for 3h; under 5320.36 Torr; Inert atmosphere;

With water; In dimethyl sulfoxide; tert-butyl alcohol; at 150 ℃; for 6h; under 6840.46 Torr; Inert atmosphere;