4-tert-Butylphenyl isocyanate

Base Information

Chemical Name:4-tert-Butylphenyl isocyanate
CAS No.:1943-67-5
Molecular Formula:C11H13NO
Molecular Weight:175.23
Hs Code.:2929109000
European Community (EC) Number:627-265-0
DSSTox Substance ID:DTXSID70370888
Nikkaji Number:J2.861.679A
Mol file:1943-67-5.mol

Synonyms:4-tert-Butylphenyl isocyanate;1943-67-5;1-tert-butyl-4-isocyanatobenzene;Benzene, 1-(1,1-dimethylethyl)-4-isocyanato-;1-(tert-butyl)-4-isocyanatobenzene;4-tert-butylPHENylisoCYANATE;1-tert-butyl-4-isocyanato-benzene;MFCD00040718;4-Tert-Butylphenyl-Isocyanate;4-t-butylphenylisocyanate;4-tertbutylphenyl isocyanate;4-t-butyl-phenyl isocyanate;4-tert.butyl-phenylisocyanat;4-tert-butyl phenylisocyanate;SCHEMBL827333;4-tert-butyl-phenyl-isocyanate;4-tert.butyl-phenyl-isocyanate;1-tert-butyl4-isocyanatobenzene;4-(tert-butyl)phenyl isocyanate;DTXSID70370888;4-(tert-butyl) phenyl isocyanate;4-(tert-butyl)-phenyl isocyanate;WUWBDQJTQTVBSQ-UHFFFAOYSA-N;BAA94367;1-isocyanato-4-(tert-butyl)benzene;4-tert-Butylphenyl isocyanate, 97%;GEO-02564;AKOS000188475;AS-59890;Propanedial,1H-benzimidazol-2-yl-(9CI);FT-0616863;EN300-146859;A813727;W-200196;F2160-0016

Suppliers and Price of 4-tert-Butylphenyl isocyanate

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-Butylphenyl isocyanate
100mg
$ 75.00

SynQuest Laboratories
tert-Butylphenyl isocyanate
25 g
$ 359.00

SynQuest Laboratories
tert-Butylphenyl isocyanate
1 g
$ 64.00

SynQuest Laboratories
tert-Butylphenyl isocyanate
5 g
$ 120.00

Sigma-Aldrich
4-tert-Butylphenyl isocyanate 97%
5g
$ 208.00

Sigma-Aldrich
4-tert-Butylphenyl isocyanate 97%
1g
$ 61.80

Oakwood
4-tert-Butylphenyl isocyanate
5g
$ 60.00

Oakwood
4-tert-Butylphenyl isocyanate
25g
$ 180.00

Oakwood
4-tert-Butylphenyl isocyanate
1g
$ 20.00

Matrix Scientific
1-tert-Butyl-4-isocyanatobenzene 97%
100g
$ 838.00

Total 21 raw suppliers

Chemical Property of 4-tert-Butylphenyl isocyanate

Chemical Property:

Vapor Pressure:0.0612mmHg at 25°C
Refractive Index:n20/D 1.5190(lit.)
Boiling Point:231.8 °C at 760 mmHg
Flash Point:82 °C
PSA：29.43000
Density:0.94 g/cm³
LogP:2.95140
Storage Temp.:2-8°C
XLogP3:4.4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:175.099714038
Heavy Atom Count:13
Complexity:203

Purity/Quality:

97% ^*data from raw suppliers

4-tert-Butylphenyl isocyanate ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xn,T
Hazard Codes:Xn,T
Statements: 20/21/22-36/37/38
Safety Statements: 26-36

MSDS Files:

Useful:

Canonical SMILES:CC(C)(C)C1=CC=C(C=C1)N=C=O
Uses 4-tert-butylphenyl isocyanate may be used in the synthesis of N-(4-tert-butylphenyl)-5-[(4-fluorophenyl)sulfamoyl]-1,3-dihydro-2H-isoindole-2-carboxamide.

Technology Process of 4-tert-Butylphenyl isocyanate

There total 6 articles about 4-tert-Butylphenyl isocyanate 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: 81.24%

: 1943-67-5
4-(t-butyl)phenyl isocyanate

Guidance literature:: In 1,2-dichloro-ethane; at 0 - 20 ℃; Reflux;

Reference yield: 74.0%

: 116-16-5
1,1,1,3,3,3-hexachloro-propan-2-one

: 769-92-6
4-tert-Butylaniline

: 1943-67-5
4-(t-butyl)phenyl isocyanate

Guidance literature:: In toluene; at 100 ℃; for 0.333333h;

Reference yield: 9.0%

: 201230-82-2
carbon monoxide

: 3282-56-2
4-tert-butylnitrobenzene

: 1943-67-5
4-(t-butyl)phenyl isocyanate

Guidance literature:: bis(tetrahydrofurane)oxovanadium(IV) dichloride; (Bu4N); In 1,2-dichloro-benzene; at 120 ℃; under 750.06 Torr; Rate constant;