4-Bromo-3-chloroanisole

Base Information

• Chemical Name: 4-Bromo-3-chloroanisole
• CAS No.: 50638-46-5
• Molecular Formula: C7H6BrClO
• Molecular Weight: 221.481
• Hs Code.: 2909309090
• DSSTox Substance ID: DTXSID70373596
• Nikkaji Number: J2.433.675A
• Wikidata: Q72452339
• Mol file: 50638-46-5.mol

Synonyms:3-Chloro-4-bromoanisole;

Chemical Property of 4-Bromo-3-chloroanisole

Chemical Property:

• Vapor Pressure: 0.03mmHg at 25°C
• Refractive Index: 1.556
• Boiling Point: 252.9 °C at 760 mmHg
• Flash Point: 106.8 °C
• PSA: 9.23000
• Density: 1.564 g/cm³
• LogP: 3.11110
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 219.92906
• Heavy Atom Count: 10
• Complexity: 110

Purity/Quality:

99% ^*data from raw suppliers

4-Bromo-3-chloroanisole ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22-51

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=C(C=C1)Br)Cl

Technology Process of 4-Bromo-3-chloroanisole

There total 9 articles about 4-Bromo-3-chloroanisole 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: 100.0%

1-chloro-3-methoxy-benzene (2845-89-8) → 4-bromo-3-chloroanisole (50638-46-5)

Guidance literature:

With benzyltriphenylphosphonium peroxodisulfate; potassium bromide; In acetonitrile; for 6h; Heating;

DOI:10.1080/00397910601033906

Reference yield: 95.0%

2-chloro-4-methoxybenzoic acid (21971-21-1) → 4-bromo-3-chloroanisole (50638-46-5)

Guidance literature:

With potassium phosphate; tetrabuthylammonium tribromide; In acetonitrile; at 100 ℃; for 16h;

DOI:10.1039/c8sc01016a

Reference yield: 70.7%

4-bromo-3-chlorophenol (13631-21-5) + methyl iodide (74-88-4) → 4-bromo-3-chloroanisole (50638-46-5)

Guidance literature:

With potassium carbonate; In DMF (N,N-dimethyl-formamide); at 20 ℃; for 2h;

upstream raw materials:

4-bromo-3-chlorophenol

1-chloro-3-methoxy-benzene

4-bromo-3-chloroaniline

1-bromo-2-chloro-4-nitrobenzene

Downstream raw materials:

4-hydroxy-1-(2-chloro-4-methoxyphenyl)-2-methylbutan-1-one

2-(2-chloro-4-methoxyphenyl)-3-oxo-butyronitrile

3-(2-chloro-4-methoxy-phenyl)-propenal

4-(2-chloro-4-methoxyphenyl)-2-methyl-3-butyn-2-ol