4-Tert-butoxybenzonitrile

Base Information

Chemical Name:4-Tert-butoxybenzonitrile
CAS No.:185259-36-3
Molecular Formula:C11H13 N O
Molecular Weight:175.23
Hs Code.:2926909090
DSSTox Substance ID:DTXSID80427413
Nikkaji Number:J813.834F
Wikidata:Q82240066
Mol file:185259-36-3.mol

Synonyms:4-TERT-BUTOXYBENZONITRILE;185259-36-3;4-(tert-butoxy)benzonitrile;4-[(2-methylpropan-2-yl)oxy]benzonitrile;Benzonitrile, 4-(1,1-dimethylethoxy)-;SCHEMBL435736;DTXSID80427413;AB3219;MFCD03425273;4-tert-Butoxybenzonitrile, AldrichCPR;AKOS009159259;AB14659;CS-W017441;AS-44696;FT-0619475;EN300-97474;A880726;Z362801128

Suppliers and Price of 4-Tert-butoxybenzonitrile

Supply Marketing:

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
4-tert-Butoxybenzonitrile
50mg
$ 45.00

Apolloscientific
4-tert-Butoxybenzonitrile 95%
25g
$ 573.00

Apolloscientific
4-tert-Butoxybenzonitrile 95%
5g
$ 182.00

American Custom Chemicals Corporation
4-TERT-BUTOXYBENZONITRILE 95.00%
5G
$ 912.29

American Custom Chemicals Corporation
4-TERT-BUTOXYBENZONITRILE 95.00%
2.5G
$ 796.77

American Custom Chemicals Corporation
4-TERT-BUTOXYBENZONITRILE 95.00%
1G
$ 619.70

Ambeed
4-(tert-Butoxy)benzonitrile 95%
1g
$ 38.00

Ambeed
4-(tert-Butoxy)benzonitrile 95%
5g
$ 82.00

Ambeed
4-(tert-Butoxy)benzonitrile 95%
25g
$ 313.00

Alichem
4-(tert-Butoxy)benzonitrile
25g
$ 304.00

Total 10 raw suppliers

Chemical Property of 4-Tert-butoxybenzonitrile

Chemical Property:

Vapor Pressure:0.0035mmHg at 25°C
Refractive Index:1.5210
Boiling Point:281.7°Cat760mmHg
Flash Point:118.4°C
PSA：33.02000
Density:1.01g/cm³
LogP:2.73558
Storage Temp.:Sealed in dry,Room Temperature
XLogP3:2.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:175.099714038
Heavy Atom Count:13
Complexity:200

Purity/Quality:

97% ^*data from raw suppliers

4-tert-Butoxybenzonitrile ^*data from reagent suppliers

Safty Information:

Pictogram(s): R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.;
Hazard Codes:R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.;
Statements: 20/21/22-43
Safety Statements: 28-36/37

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)(C)OC1=CC=C(C=C1)C#N

Technology Process of 4-Tert-butoxybenzonitrile

There total 14 articles about 4-Tert-butoxybenzonitrile 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: 98.0%

: 623-00-7
4-bromobenzenecarbonitrile

: 865-48-5
sodium t-butanolate

: 185259-36-3
tert-butyl 4-cyanophenyl ether

Guidance literature:: With 1,1'-bis-(diphenylphosphino)ferrocene; bis(dibenzylideneacetone)-palladium⁽⁰⁾; In toluene; at 120 ℃; for 12h; Product distribution; other reagents;
DOI:10.1021/jo970453v