4-Bromo-3-chlorophenyl isothiocyanate

Base Information

Chemical Name:4-Bromo-3-chlorophenyl isothiocyanate
CAS No.:32118-33-5
Molecular Formula:C₇H₃BrClNS
Molecular Weight:248.531
Hs Code.:2930909090
European Community (EC) Number:671-016-9
DSSTox Substance ID:DTXSID50865621
Mol file:32118-33-5.mol

Synonyms:4-Bromo-3-chlorophenyl isothiocyanate;32118-33-5;1-Bromo-2-chloro-4-isothiocyanatobenzene;4-Bromo-3-chlorophenylisothiocyanate;ISOTHIOCYANIC ACID, 4-BROMO-3-CHLOROPHENYL ESTER;SCHEMBL1588268;DTXSID50865621;MFCD00041071;3-chloro-4-bromophenyl isothiocyanate;AKOS003211290;FS-4366;LS-86389;1-Bromo-2-chloro-4-isothiocyanatobenzene #;FT-0639006;J-802130

Suppliers and Price of 4-Bromo-3-chlorophenyl isothiocyanate

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-Bromo-3-chlorophenylIsothiocyanate
25mg
$ 45.00

TRC
4-Bromo-3-chlorophenylIsothiocyanate
250mg
$ 75.00

SynQuest Laboratories
4-Bromo-3-chlorophenylisothiocyanate 99%
5 g
$ 244.00

SynQuest Laboratories
4-Bromo-3-chlorophenylisothiocyanate 99%
1 g
$ 61.00

Matrix Scientific
4-Bromo-3-chlorophenyl isothiocyanate 98%
1g
$ 41.00

Matrix Scientific
4-Bromo-3-chlorophenyl isothiocyanate 98%
5g
$ 151.00

American Custom Chemicals Corporation
4-BROMO-3-CHLOROPHENYL ISOTHIOCYANATE 95.00%
5G
$ 915.92

American Custom Chemicals Corporation
4-BROMO-3-CHLOROPHENYL ISOTHIOCYANATE 95.00%
1G
$ 622.55

AK Scientific
4-Bromo-3-chlorophenylisothiocyanate
25g
$ 286.00

AHH
4-Bromo-3-chlorophenylisothiocyanate 99%
50g
$ 380.00

Total 19 raw suppliers

Chemical Property of 4-Bromo-3-chlorophenyl isothiocyanate

Chemical Property:

Vapor Pressure:0.000256mmHg at 25°C
Refractive Index:1.678
Boiling Point:330.1 °C at 760 mmHg
Flash Point:153.4 °C
PSA：44.45000
Density:1.636 g/cm³
LogP:3.83680
Storage Temp.:Keep Cold
XLogP3:4.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:246.88581
Heavy Atom Count:11
Complexity:181

Purity/Quality:

97% ^*data from raw suppliers

4-Bromo-3-chlorophenylIsothiocyanate ^*data from reagent suppliers

Safty Information:

Pictogram(s): T
Hazard Codes:T

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=C(C=C1N=C=S)Cl)Br

Technology Process of 4-Bromo-3-chlorophenyl isothiocyanate

There total 2 articles about 4-Bromo-3-chlorophenyl isothiocyanate 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: 92.0%

: 21402-26-6
4-bromo-3-chloroaniline

: 463-71-8
thiophosgene

: 32118-33-5
1-bromo-2-chloro-4-isothiocyanatobenzene

Guidance literature:: With sodium hydrogencarbonate; In dichloromethane; water; at 23 ℃; for 1h;
DOI:10.1002/anie.202004321

Reference yield: 91.0%

: 21402-26-6
4-bromo-3-chloroaniline

: 6160-65-2
1,1'-Thiocarbonyldiimidazole

: 32118-33-5
1-bromo-2-chloro-4-isothiocyanatobenzene

Guidance literature:: In dichloromethane; at 20 ℃; for 1.5h; under 760.051 Torr; Inert atmosphere;

Reference yield: 75.0%

: 420-04-2
CYANAMID

: 32118-33-5
1-bromo-2-chloro-4-isothiocyanatobenzene

: 74-88-4
methyl iodide

: 1533434-95-5
(Z)-methyl N-(4-bromo-3-chlorophenyl)-N'-cyanocarbamimidothioate

Guidance literature:: CYANAMID; With sodium methylate; In methanol; at 20 ℃; for 0.25h; under 760.051 Torr; Inert atmosphere;

1-bromo-2-chloro-4-isothiocyanatobenzene; In methanol; at 20 ℃; for 1h; under 760.051 Torr; Inert atmosphere;

methyl iodide; In methanol; at 20 ℃; under 760.051 Torr; Inert atmosphere;