1-(Bromomethyl)-2-isothiocyanatobenzene

Base Information

• Chemical Name: 1-(Bromomethyl)-2-isothiocyanatobenzene
• CAS No.: 108288-40-0
• Molecular Formula: C8H6BrNS
• Molecular Weight: 228.10900
• Hs Code.: 2930909090
• DSSTox Substance ID: DTXSID10452637
• Nikkaji Number: J3.134.505G
• Mol file: 108288-40-0.mol

Synonyms:1-(BROMOMETHYL)-2-ISOTHIOCYANATOBENZENE;108288-40-0;2-isothiocyanatobenzyl bromide;SCHEMBL349212;DTXSID10452637;2-(bromomethyl)phenyl isothiocyanate;MFCD09972082;AKOS005174816;FT-0711287

Chemical Property of 1-(Bromomethyl)-2-isothiocyanatobenzene

Chemical Property:

• PSA: 44.45000
• LogP: 3.31580
• 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:

97% ^*data from raw suppliers

1-(Bromomethyl)-2-isothiocyanatobenzene ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-(Bromomethyl)-2-isothiocyanatobenzene

There total 1 articles about 1-(Bromomethyl)-2-isothiocyanatobenzene 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: 56.0%

2-tolyl isothiocyanate (614-69-7) → 2-(bromomethyl)phenyl isothiocyanate (108288-40-0)

Guidance literature:

With N-Bromosuccinimide; dibenzoyl peroxide; In tetrachloromethane; for 1.5h; Heating;

Reference yield: 93.0%

2-(bromomethyl)phenyl isothiocyanate (108288-40-0) + benzylamine (100-46-9) → (4H-Benzo[d][1,3]thiazin-2-yl)-benzyl-amine (108288-46-6)

Guidance literature:

With triethylamine; In benzene; for 1.5h; Heating;

Reference yield: 93.0%

sodium thiocyanide (540-72-7) + 2-(bromomethyl)phenyl isothiocyanate (108288-40-0) → 2-(thiocyanatomethyl)phenyl isothiocyanate (108288-43-3)

Guidance literature:

In acetone;

upstream raw materials:

2-tolyl isothiocyanate

Downstream raw materials:

2-isothiocyanatobenzylpyridinium bromide

1-(2-Isothiocyanato-benzyl)-2-methyl-pyridinium; bromide

1-(2-Isothiocyanato-benzyl)-4-methyl-pyridinium; bromide

1-(2-Isothiocyanato-benzyl)-3-methyl-pyridinium; bromide