2-Bromobenzoyl isocyanate

Base Information

Chemical Name:2-Bromobenzoyl isocyanate
CAS No.:62632-15-9
Molecular Formula:C8H4BrNO2
Molecular Weight:226.029
Hs Code.:
DSSTox Substance ID:DTXSID20562377

Synonyms:2-Bromobenzoyl isocyanate;62632-15-9;SCHEMBL7753673;DTXSID20562377;WGFILESHIVMXAY-UHFFFAOYSA-N;AKOS022308361

Suppliers and Price of 2-Bromobenzoyl 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
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Total 0 raw suppliers

Chemical Property of 2-Bromobenzoyl isocyanate

Chemical Property:

XLogP3:3.4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:224.94254
Heavy Atom Count:12
Complexity:223

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of 2-Bromobenzoyl isocyanate

There total 3 articles about 2-Bromobenzoyl 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:

: 79-37-8
oxalyl dichloride

: 4001-73-4
2-Bromobenzamide

: 62632-15-9
2-Bromobenzoyl isocyanate

Guidance literature:: In 1,2-dichloro-ethane; at 45 - 55 ℃; Reflux; Inert atmosphere;
DOI:10.1080/10426500701734323

Reference yield:

: 88-65-3
2-bromobenzoic-acid

: 62632-15-9
2-Bromobenzoyl isocyanate

Guidance literature:: Multi-step reaction with 3 steps

1: thionyl chloride / toluene / 3 h / Reflux

2: ammonium hydroxide / 1 h / 0 - 10 °C

3: 1,2-dichloro-ethane / 6 h / Reflux; Inert atmosphere

With ammonium hydroxide; thionyl chloride; In 1,2-dichloro-ethane; toluene;
DOI:10.1016/j.bmcl.2016.03.085

Reference yield:

: 7154-66-7
2-bromobenzoic acid chloride

: 62632-15-9
2-Bromobenzoyl isocyanate

Guidance literature:: Multi-step reaction with 2 steps

1: ammonium hydroxide / 1 h / 0 - 10 °C

2: 1,2-dichloro-ethane / 6 h / Reflux; Inert atmosphere

With ammonium hydroxide; In 1,2-dichloro-ethane;
DOI:10.1016/j.bmcl.2016.03.085