3,4-Dimethylphenyl isocyanate

Base Information

Chemical Name:3,4-Dimethylphenyl isocyanate
CAS No.:51163-27-0
Molecular Formula:C9H9NO
Molecular Weight:147.177
Hs Code.:2929109000
European Community (EC) Number:625-597-0
DSSTox Substance ID:DTXSID50402752
Nikkaji Number:J410.666K
Wikidata:Q27127076
Metabolomics Workbench ID:60978
Mol file:51163-27-0.mol

Synonyms:3,4-Dimethylphenyl isocyanate;51163-27-0;4-isocyanato-1,2-dimethylbenzene;3,4-dimethylphenylisocyanate;Benzene, 4-isocyanato-1,2-dimethyl-;3,4-dimethyl phenylisocyanate;MFCD00013867;SCHEMBL58809;3,4-dimethyl phenyl isocyanate;CHEBI:60098;DTXSID50402752;AYCDBMRVKSXYKW-UHFFFAOYSA-N;1-isocyanato-3,4-dimethyl-benzene;4-isocyanato-1,2-dimethyl benzene;4-isocyanato-1,2-dimethyl-benzene;BBL037753;GEO-02567;STK504576;3,4-Dimethylphenyl isocyanate, 98%;AKOS000183991;VS-14427;BB 0254650;FT-0614382;E78163;EN300-146891;A828470;W-200401;Q27127076;F1945-0009

Suppliers and Price of 3,4-Dimethylphenyl 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
3,4-DimethylphenylIsocyanate
50mg
$ 60.00

Matrix Scientific
4-Isocyanato-1,2-dimethylbenzene
500mg
$ 95.00

American Custom Chemicals Corporation
3,4-DIMETHYLPHENYL ISOCYANATE 95.00%
5G
$ 1016.40

American Custom Chemicals Corporation
3,4-DIMETHYLPHENYL ISOCYANATE 95.00%
1G
$ 664.13

American Custom Chemicals Corporation
3,4-DIMETHYLPHENYL ISOCYANATE 95.00%
0.5G
$ 616.00

Alfa Aesar
3,4-Dimethylphenyl isocyanate, 97%
5g
$ 64.00

Alfa Aesar
3,4-Dimethylphenyl isocyanate, 97%
1g
$ 23.80

Alfa Aesar
3,4-Dimethylphenyl isocyanate, 97%
25g
$ 215.00

AK Scientific
4-Isocyanato-1,2-dimethylbenzene
25g
$ 214.00

AK Scientific
4-Isocyanato-1,2-dimethylbenzene
5g
$ 49.00

Total 20 raw suppliers

Chemical Property of 3,4-Dimethylphenyl isocyanate

Chemical Property:

Vapor Pressure:0.068mmHg at 25°C
Refractive Index:n20/D 1.536(lit.)
Boiling Point:85oC2 mm Hg(lit.)
Flash Point:198 °F
PSA：29.43000
Density:1.051
LogP:2.27070
Sensitive.:Moisture Sensitive
Water Solubility.:Hydrolyzes in water.
XLogP3:4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:147.068413911
Heavy Atom Count:11
Complexity:172

Purity/Quality:

98%Min ^*data from raw suppliers

3,4-DimethylphenylIsocyanate ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xn
Hazard Codes:Xn
Statements: 20/21/22-36/37/38
Safety Statements: 23-26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Canonical SMILES:CC1=C(C=C(C=C1)N=C=O)C
Uses 3,4-Dimethylphenyl isocyanate is used as a pharmaceutical intermediate.

Technology Process of 3,4-Dimethylphenyl isocyanate

There total 5 articles about 3,4-Dimethylphenyl 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: 82.59%