1-Bromo-2,3-dichlorobenzene

Base Information

• Chemical Name: 1-Bromo-2,3-dichlorobenzene
• CAS No.: 56961-77-4
• Molecular Formula: C6H3BrCl2
• Molecular Weight: 225.9
• Hs Code.: 29039990
• European Community (EC) Number: 260-476-2
• DSSTox Substance ID: DTXSID00205533
• Nikkaji Number: J31.739J
• Wikidata: Q72454093
• Mol file: 56961-77-4.mol

Synonyms:1-BROMO-2,3-DICHLOROBENZENE;56961-77-4;2,3-DICHLOROBROMOBENZENE;Benzene, 1-bromo-2,3-dichloro-;Benzene, bromodichloro-;MFCD00000536;1-bromo-2,3-dichloro-benzene;EINECS 260-476-2;2,3-DICHLORO-1-BROMOBENZENE;bromodichlorobenzene;monobromodichlorobenzene;2,3-Dichlorophenyl bromide;SCHEMBL221096;DTXSID00205533;1-Bromo-2,3-dichlorobenzene, 98%;AKOS000121083;AM61593;CS-W010435;AC-26066;PS-10244;SY040751;A4391;A8136;B0980;FT-0609563;EN300-23992;F14845

Chemical Property of 1-Bromo-2,3-dichlorobenzene

Chemical Property:

• Appearance/Colour: light yellow crystalline flakes
• Vapor Pressure: 0.0556mmHg at 25°C
• Melting Point: 58-61 °C(lit.)
• Refractive Index: 1.59
• Boiling Point: 241.477 °C at 760 mmHg
• Flash Point: 108.7 °C
• PSA: 0.00000
• Density: 1.744 g/cm³
• LogP: 3.75590
• Storage Temp.: 2-8°C
• Water Solubility.: insoluble
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 223.87952
• Heavy Atom Count: 9
• Complexity: 97.1

Purity/Quality:

1-Bromo-2,3-dichlorobenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39-28A-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=C(C(=C1)Br)Cl)Cl
• Uses: 1-Bromo-2,3-dichlorobenzene is a reagent used in the preparation of selective nonpeptidic inhibitors of striatal-enriched protein tryosine phosphatase.

Technology Process of 1-Bromo-2,3-dichlorobenzene

There total 5 articles about 1-Bromo-2,3-dichlorobenzene 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: 92.0%

→ 1-bromo-2,3-dichlorobenzene (56961-77-4)

Guidance literature:

Reference yield: 87.7%

2,3-dichloroaniline (608-27-5) → 1-bromo-2,3-dichlorobenzene (56961-77-4)

Guidance literature:

With hydrogen bromide; sodium nitrite; copper; In water; at 35 - 65 ℃; Product distribution / selectivity;

Reference yield:

N-(4-bromo-3-chlorophenyl)acetamide (22459-81-0) → 1-bromo-2,3-dichlorobenzene (56961-77-4)

Guidance literature:

Multi-step reaction with 3 steps

1: glacial acetic acid / durch Chlorierung

2: sulfuric acid; alcohol

With ethanol; sulfuric acid; acetic acid;

upstream raw materials:

4-bromo-2,3-dichloro-phenylamine

N-(4-bromo-3-chlorophenyl)acetamide

4-Bromo-2,3-dichloroacetanilide

2,3-dichloroaniline

Downstream raw materials:

C₁₇H₁₈Cl₂NO

1-(2,3-dichlorophenyl)piperazine

2,3,3'-trichlorobiphenyl

[(2,3-dichlorophenyl)ethynyl](trimethyl)silane

Refernces

• 1、 -. "PROCESS FOR THE PRODUCTION OF SUBSTITUTED BROMOBENZENES". Page/Page column 8. . Retrieved 2008/12/05.