1-Bromo-2,3,5-trichlorobenzene

Base Information

• Chemical Name: 1-Bromo-2,3,5-trichlorobenzene
• CAS No.: 81067-38-1
• Molecular Formula: C6H2BrCl3
• Molecular Weight: 260.345
• Hs Code.: 2903999090
• DSSTox Substance ID: DTXSID30402674
• Nikkaji Number: J2.522.366G
• Wikidata: Q82206133
• Mol file: 81067-38-1.mol

Synonyms:1-Bromo-2,3,5-trichlorobenzene;81067-38-1;2,3,5-Trichlorobromobenzene;Benzene, 1-bromo-2,3,5-trichloro-;2,3,5-Trichloorobromobenzene;1-bromo-2,3,5-trichloro-benzene;SCHEMBL6500390;WOIGJFAVHOCDDW-UHFFFAOYSA-;DTXSID30402674;WOIGJFAVHOCDDW-UHFFFAOYSA-N;MFCD00070734;AKOS015834871;FS-4308;1-Bromo-2,3,5-trichlorobenzene, 96%;B1991;CS-0157753;FT-0607438;F21448;EN300-1704495;A840032;InChI=1/C6H2BrCl3/c7-4-1-3(8)2-5(9)6(4)10/h1-2H

Chemical Property of 1-Bromo-2,3,5-trichlorobenzene

Chemical Property:

• Vapor Pressure: 0.0111mmHg at 25°C
• Melting Point: 58-61 °C
• Refractive Index: 1.603
• Boiling Point: 270.8 °C at 760 mmHg
• Flash Point: 129.3 °C
• PSA: 0.00000
• Density: 1.84 g/cm³
• LogP: 4.40930
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 4.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 257.84055
• Heavy Atom Count: 10
• Complexity: 120

Purity/Quality:

98% ^*data from raw suppliers

1-Bromo-2,3,5-trichlorobenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C(=C1Cl)Cl)Br)Cl

Technology Process of 1-Bromo-2,3,5-trichlorobenzene

There total 1 articles about 1-Bromo-2,3,5-trichlorobenzene 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:

2,4-dichloro-6-bromoaniline (697-86-9) → 1-bromo-2,3,5-trichlorobenzene (81067-38-1)

Guidance literature:

With sodium nitrite; copper(I) chloride; In hydrogenchloride; chloroform; sulfuric acid; acetic acid;

Reference yield: 55.0%

N,N-bis(p-methoxybenzyl)carbamoyl chloride + 1-bromo-2,3,5-trichlorobenzene (81067-38-1) + methyl chloroformate (79-22-1) → N,N-bis(p-methoxybenzyl)-2-oxo-2-(2,3,5-trichlorophenyl)acetamide

Guidance literature:

N,N-bis(p-methoxybenzyl)carbamoyl chloride; 1-bromo-2,3,5-trichlorobenzene; With n-butyllithium; In tetrahydrofuran; at -78 ℃; Inert atmosphere;

methyl chloroformate; In tetrahydrofuran; Inert atmosphere;

DOI:10.1002/anie.201601386

Reference yield: 10.0%

1-bromo-2,3,5-trichlorobenzene (81067-38-1) + phenylboronic acid (98-80-6) → 2,3,5-trichlorobiphenyl (55720-44-0)

Guidance literature:

With (R,R)-N,N'-bis[(2-fluorophenyl)methyl]-1,2-cyclohexanediamine PdCl₂ complex; potassium carbonate; In N,N-dimethyl-formamide; at 120 ℃; for 24h; Aerobic conditions;

DOI:10.1002/ejoc.200800119

upstream raw materials:

2,4-dichloro-6-bromoaniline

Downstream raw materials:

2,3,5-trichlorobenzeneboronic acid

2,2',3,3',5-pentachlorobiphenyl

2,3,5-trichlorobiphenyl

2-oxo-2-(2,3,5-trichlorophenyl)acetamide

Refernces