4-Bromo-2-methylphenyl isocyanate

Base Information

Chemical Name:4-Bromo-2-methylphenyl isocyanate
CAS No.:1591-98-6
Molecular Formula:C₈H₆BrNO
Molecular Weight:212.046
Hs Code.:29291090
European Community (EC) Number:623-257-6
DSSTox Substance ID:DTXSID80370819
Nikkaji Number:J265.461J
Mol file:1591-98-6.mol

Synonyms:4-Bromo-2-methylphenyl isocyanate;1591-98-6;4-bromo-1-isocyanato-2-methylbenzene;4-BROMO-2-METHYLPHENylisoCYANATE;Benzene, 4-bromo-1-isocyanato-2-methyl-;MFCD00037039;Benzene,4-bromo-1-isocyanato-2-methyl-;SCHEMBL1021321;DTXSID80370819;2-methyl-4-bromophenyl isocyanate;NXAYRHQYINQHRF-UHFFFAOYSA-N;BAA59198;GEO-00502;AKOS005258249;AS-64350;BP-12360;FT-0617792;EN300-146916;A810007;W-200143

Suppliers and Price of 4-Bromo-2-methylphenyl 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

SynQuest Laboratories
4-Bromo-2-methylphenyl isocyanate
5 g
$ 288.00

SynQuest Laboratories
4-Bromo-2-methylphenyl isocyanate
1 g
$ 96.00

Oakwood
4-Bromo-2-methylphenylisocyanate
1g
$ 45.00

Frontier Specialty Chemicals
4-Bromo-2-methylphenylisocyanate 98%
5g
$ 346.00

Frontier Specialty Chemicals
4-Bromo-2-methylphenylisocyanate 98%
1g
$ 96.00

Apolloscientific
4-Bromo-2-methylphenylisocyanate
5g
$ 261.00

Apolloscientific
4-Bromo-2-methylphenylisocyanate
1g
$ 87.00

American Custom Chemicals Corporation
4-BROMO-2-METHYLPHENYL ISOCYANATE 95.00%
1G
$ 626.98

American Custom Chemicals Corporation
4-BROMO-2-METHYLPHENYL ISOCYANATE 95.00%
10G
$ 1295.64

Alfa Aesar
4-Bromo-2-methylphenyl isocyanate, 98%
1g
$ 41.80

Total 29 raw suppliers

Chemical Property of 4-Bromo-2-methylphenyl isocyanate

Chemical Property:

Vapor Pressure:0.017mmHg at 25°C
Melting Point:47-50 °C(lit.)
Refractive Index:1.571
Boiling Point:254.7 °C at 760 mmHg
Flash Point:107.9 °C
PSA：29.43000
Density:1.44 g/cm³
LogP:2.72480
Sensitive.:Moisture Sensitive
XLogP3:3.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:210.96328
Heavy Atom Count:11
Complexity:177

Purity/Quality:

97% ^*data from raw suppliers

4-Bromo-2-methylphenyl isocyanate ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xn, Xi
Hazard Codes:Xn,Xi
Statements: 20/21/22-36/37/38-42-20/22
Safety Statements: 26-36-45-36/37-22

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=C(C=CC(=C1)Br)N=C=O

Technology Process of 4-Bromo-2-methylphenyl isocyanate

There total 2 articles about 4-Bromo-2-methylphenyl 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:

: 32315-10-9
bis(trichloromethyl) carbonate

: 583-75-5
4-Bromo-2-methylaniline

: 1591-98-6
2-methyl-4-bromophenyl isocyanate

Guidance literature:: In tetrahydrofuran; for 3h;

Reference yield:

: 1591-98-6
2-methyl-4-bromophenyl isocyanate

Guidance literature:

Reference yield:

: 1591-98-6
2-methyl-4-bromophenyl isocyanate

: 160132-31-0
1-(4-bromo-2-methylphenyl)imidazolidin-2-one

Guidance literature:: Multi-step reaction with 2 steps

1: triethylamine / tetrahydrofuran / 2 h

2: sodium hydride / N,N-dimethyl-formamide / 12 h / Cooling with ice

With sodium hydride; triethylamine; In tetrahydrofuran; N,N-dimethyl-formamide;