2-Bromo-3-chlorobenzoyl chloride

Base Information

• Chemical Name: 2-Bromo-3-chlorobenzoyl chloride
• CAS No.: 116529-64-7
• Molecular Formula: C₇H₃BrCl₂O
• Molecular Weight: 253.91
• DSSTox Substance ID: DTXSID40586252
• Wikidata: Q82478345
• Mol file: 116529-64-7.mol

Synonyms:2-Bromo-3-chlorobenzoyl chloride;116529-64-7;SCHEMBL7596116;2-Bromo-3-chlorobenzoylchloride;DTXSID40586252;AKOS000277073

Chemical Property of 2-Bromo-3-chlorobenzoyl chloride

Chemical Property:

• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 251.87443
• Heavy Atom Count: 11
• Complexity: 163

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=C(C(=C1)Cl)Br)C(=O)Cl

Technology Process of 2-Bromo-3-chlorobenzoyl chloride

There total 3 articles about 2-Bromo-3-chlorobenzoyl chloride 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:

2-bromo-3-chlorobenzoic acid (56961-26-3) → 2-bromo-3-chlorobenzoyl chloride (116529-64-7)

Guidance literature:

With phosphorus pentachloride; at 130 - 140 ℃;

Reference yield:

2-bromo-1-chloro-3-methylbenzene (69190-56-3) → 2-bromo-3-chlorobenzoyl chloride (116529-64-7)

Guidance literature:

Multi-step reaction with 2 steps

1: HNO₃

2: PCl₅ / 130 - 140 °C

With phosphorus pentachloride; nitric acid;

Reference yield:

2-Methyl-6-nitroaniline (570-24-1) → 2-bromo-3-chlorobenzoyl chloride (116529-64-7)

Guidance literature:

Multi-step reaction with 3 steps

1: man ersetzt die NH₂-Gruppe durch Brom, reduziert mit Zinn und Salzsaeure und ersetzt die neugebildete NH₂-Gruppe durch Chlor

2: HNO₃

3: PCl₅ / 130 - 140 °C

With phosphorus pentachloride; nitric acid;

upstream raw materials:

2-bromo-3-chlorobenzoic acid

2-bromo-1-chloro-3-methylbenzene

2-Methyl-6-nitroaniline