4-Bromobenzylisothiocyanate

Base Information

Chemical Name:4-Bromobenzylisothiocyanate
CAS No.:2076-56-4
Molecular Formula:C8H6 Br N S
Molecular Weight:228.112
Hs Code.:2930909090
European Community (EC) Number:831-537-6
NSC Number:137468
UNII:G3Y4EV6NQD
DSSTox Substance ID:DTXSID00174831
Nikkaji Number:J449.897F
Mol file:2076-56-4.mol

Synonyms:4-bromobenzyl-isothiocyanate;4-bromobenzylisothiocyanate

Suppliers and Price of 4-Bromobenzylisothiocyanate

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
1-Bromo-4-(isothiocyanatomethyl)benzene
50mg
$ 130.00

AK Scientific
4-Bromobenzylisothiocyanate
10g
$ 2250.00

Total 10 raw suppliers

Chemical Property of 4-Bromobenzylisothiocyanate

Chemical Property:

Refractive Index:1.6070 (estimate)
Boiling Point:308.5°Cat760mmHg
Flash Point:140.4°C
PSA：44.45000
Density:1.43g/cm³
LogP:3.05190
Water Solubility.:14.83mg/L(25 oC)
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:158

Purity/Quality:

99% ^*data from raw suppliers

1-Bromo-4-(isothiocyanatomethyl)benzene ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=CC=C1CN=C=S)Br

Technology Process of 4-Bromobenzylisothiocyanate

There total 8 articles about 4-Bromobenzylisothiocyanate 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: 97.0%