3-(Bromomethyl)phenyl isothiocyanate

Base Information

Chemical Name:3-(Bromomethyl)phenyl isothiocyanate
CAS No.:155863-31-3
Molecular Formula:C₈H₆BrNS
Molecular Weight:228.112
Hs Code.:2930909090
European Community (EC) Number:623-750-6
DSSTox Substance ID:DTXSID90437548
Mol file:155863-31-3.mol

Synonyms:3-(Bromomethyl)phenyl isothiocyanate;155863-31-3;1-(BROMOMETHYL)-3-ISOTHIOCYANATOBENZENE;Benzene, 1-(bromomethyl)-3-isothiocyanato-;SCHEMBL347355;DTXSID90437548;J-009248

Suppliers and Price of 3-(Bromomethyl)phenyl 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

American Custom Chemicals Corporation
3-(BROMOMETHYL)PHENYL ISOTHIOCYANATE 95.00%
5MG
$ 502.21

Total 3 raw suppliers

Chemical Property of 3-(Bromomethyl)phenyl isothiocyanate

Chemical Property:

Vapor Pressure:0.001mmHg at 25°C
Melting Point:35-38 °C
Refractive Index:1.607
Boiling Point:320.794°C at 760 mmHg
Flash Point:147.811°C
PSA：44.45000
Density:1.438g/cm³
LogP:3.31580
Solubility.:chloroform: 0.1 g/mL, clear, very faintly brownish yellow
XLogP3:3.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:226.94043
Heavy Atom Count:11
Complexity:166

Purity/Quality:

99% ^*data from raw suppliers

3-(BROMOMETHYL)PHENYL ISOTHIOCYANATE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:T
Statements: 25-36/37/38-42
Safety Statements: 22-26-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Canonical SMILES:C1=CC(=CC(=C1)N=C=S)CBr

Technology Process of 3-(Bromomethyl)phenyl isothiocyanate

There total 1 articles about 3-(Bromomethyl)phenyl 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: 41.0%