1,2-Dibromo-3-chlorobenzene

Base Information

• Chemical Name: 1,2-Dibromo-3-chlorobenzene
• CAS No.: 104514-49-0
• Molecular Formula: C6H3 Br2 Cl
• Molecular Weight: 270.351
• Hs Code.: 2903999090
• DSSTox Substance ID: DTXSID60909025
• Nikkaji Number: J1.269.273K
• Wikidata: Q82878555
• Mol file: 104514-49-0.mol

Synonyms:1,2-Dibromo-3-chlorobenzene;104514-49-0;1,2-Dibromo-3-chloro-benzene;3-Chloro-1,2-dibromobenzene;dibromochlorobenzene;SCHEMBL2348739;DTXSID60909025;MFCD08752332;AKOS015964414;AB89758;FS-4723;AC-20994;CS-0378081;A51142;A854272

Chemical Property of 1,2-Dibromo-3-chlorobenzene

Chemical Property:

• Vapor Pressure: 0.015mmHg at 25°C
• Melting Point: 73.5°C
• Refractive Index: 1.613
• Boiling Point: 265.82°C at 760 mmHg
• Flash Point: 122.714°C
• PSA: 0.00000
• Density: 2.021g/cm³
• LogP: 3.86500
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 269.82695
• Heavy Atom Count: 9
• Complexity: 97.1

Purity/Quality:

98% ^*data from raw suppliers

1,2-Dibromo-3-chlorobenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1,2-Dibromo-3-chlorobenzene

There total 5 articles about 1,2-Dibromo-3-chlorobenzene 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: 93.0%

1-bromo-3-chlorobenzene (108-37-2) → 3-chloro-1,2-dibromobenzene (104514-49-0)

Guidance literature:

With 2,2,6,6-tetramethyl-piperidine; n-butyllithium; bromine; zinc(II) chloride; In tetrahydrofuran; hexane; at -78 - 25 ℃;

DOI:10.1021/jo052515k

Reference yield:

3,4-dibromoacetanilide (24108-97-2) → 3-chloro-1,2-dibromobenzene (104514-49-0)

Guidance literature:

Multi-step reaction with 3 steps

1: glacial acetic acid; chlorine

With chlorine; acetic acid;

Reference yield:

→ 3-chloro-1,2-dibromobenzene (104514-49-0)

Guidance literature:

upstream raw materials:

1-bromo-3-chlorobenzene

3,4-dibromoacetanilide

Downstream raw materials:

2-bromo-6-chlorobenzoic acid

2-bromo-3-chlorobenzoic acid

1-bromo-3-chlorobenzene

2-bromo-1-chlorobenzene

Refernces

• 1、 Menzel, Karsten,Fisher, Ethan L.,DiMichele, Lisa,Frantz, Doug E.,Nelson, Todd D.,Kress, Michael H.. "An improved method for the bromination of metalated haloarenes via lithium, zinc transmetalation: A convenient synthesis of 1,2-dibromoarenes". . p. 2188 - 2191. Retrieved 2007/10/03.