2-Bromo-4-chlorobenzamide

Base Information

• Chemical Name: 2-Bromo-4-chlorobenzamide
• CAS No.: 131002-01-2
• Molecular Formula: C₇H₅BrClNO
• Molecular Weight: 234.48
• DSSTox Substance ID: DTXSID40568371
• Nikkaji Number: J340.480C
• Wikidata: Q82454605
• Mol file: 131002-01-2.mol

Synonyms:2-bromo-4-chlorobenzamide;131002-01-2;Benzamide, 2-bromo-4-chloro-;SCHEMBL6510645;DTXSID40568371;MFCD17170781;AKOS026672706;SB77373;BS-20467;CS-0194498;E91344

Chemical Property of 2-Bromo-4-chlorobenzamide

Chemical Property:

• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 232.92430
• Heavy Atom Count: 11
• Complexity: 165

Purity/Quality:

98%min ^*data from raw suppliers

2-bromo-4-chlorobenzamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=C(C=C1Cl)Br)C(=O)N

Technology Process of 2-Bromo-4-chlorobenzamide

There total 3 articles about 2-Bromo-4-chlorobenzamide 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: 90.0%

2-bromo-4-chloro-benzonitrile (57381-49-4) → 2-bromo-4-chlorobenzamide (131002-01-2)

Guidance literature:

With sulfuric acid; at 85 - 90 ℃; for 1h;

DOI:10.1007/s11172-014-0765-6

Reference yield: 80.0%

4-chlorobenzamide (619-56-7) → 2-bromo-4-chlorobenzamide (131002-01-2)

Guidance literature:

With N-Bromosuccinimide; palladium diacetate; trifluoroacetic acid; In 1,2-dichloro-ethane; at 60 ℃; for 24h; regioselective reaction; Sealed tube;

DOI:10.1016/j.catcom.2019.105784

Reference yield:

2-bromo-4-chlorobenzoic acid (936-08-3) → 2-bromo-4-chlorobenzamide (131002-01-2)

Guidance literature:

With thionyl chloride; N,N-dimethyl-formamide; In toluene; at 80 ℃; for 1.5h;

upstream raw materials:

2-bromo-4-chloro-benzonitrile

2-bromo-4-chlorobenzoic acid

4-chlorobenzamide

Downstream raw materials:

7-chloro-5-methyl-2-phenylquinazolin-4(3H)-one

(E)-7-chloro-2-styrylquinazolin-4(3H)-one

2-(benzylthio)-4-chlorobenzamide

4-chloro-2-mercaptobenzonitrile