4-Bromo-2-chlorophenol

Base Information

• Chemical Name: 4-Bromo-2-chlorophenol
• CAS No.: 3964-56-5
• Molecular Formula: C6H4BrClO
• Molecular Weight: 207.454
• Hs Code.: 29081990
• European Community (EC) Number: 223-572-5
• UNII: 994SJ34D8P
• DSSTox Substance ID: DTXSID30192745
• Nikkaji Number: J192I
• Wikidata: Q27117997
• Metabolomics Workbench ID: 56036
• Mol file: 3964-56-5.mol

Synonyms:4-bromo-2-chlorophenol

Chemical Property of 4-Bromo-2-chlorophenol

Chemical Property:

• Appearance/Colour: white to off-white low melting mass or crystalline
• Vapor Pressure: 0.037mmHg at 25°C
• Melting Point: 47-49 °C(lit.)
• Refractive Index: 1.619
• Boiling Point: 236.6 °C at 760 mmHg
• PKA: 7.92±0.18(Predicted)
• Flash Point: 96.9 °C
• PSA: 20.23000
• Density: 1.788 g/cm³
• LogP: 2.80810
• Storage Temp.: Inert atmosphere,Room Temperature
• Water Solubility.: Practically insoluble in water
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 205.91341
• Heavy Atom Count: 9
• Complexity: 99.1

Purity/Quality:

99% ^*data from raw suppliers

4-Bromo-2-chlorophenol ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1Br)Cl)O
• Uses: 4-Bromo-2-chlorophenol was used as reagent during the synthesis of 7-arylbenzo[b][1,4]oxazin derivatives.

Technology Process of 4-Bromo-2-chlorophenol

There total 18 articles about 4-Bromo-2-chlorophenol 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%

2-monochlorophenol (95-57-8) → 4-bromo-2-chlorophenol (3964-56-5)

Guidance literature:

With benzyltriphenylphosphonium peroxodisulfate; potassium bromide; In acetonitrile; for 7h; Heating;

DOI:10.1080/00397910601033906

Reference yield: 91.0%

4-bromo-phenol (106-41-2) → 4-bromo-2-chlorophenol (3964-56-5)

Guidance literature:

With 1,3-dichloro-5,5-dimethylhydantoin; diisopropylamine hydrochloride; In toluene; at 0 ℃; for 4h; regioselective reaction; Darkness;

DOI:10.1021/acscatal.8b00327

Reference yield: 87.0%

(4-bromo-2-chloro-phenoxy)-tert-butyl-dimethyl-silane → 4-bromo-2-chlorophenol (3964-56-5)

Guidance literature:

With tin(ll) chloride; In ethanol; at 20 ℃; for 5h;

upstream raw materials:

4-bromo-phenol

2-monochlorophenol

2,4-dibromo-6-chlorophenol

4-bromo-2-chloro-1-methoxybenzene

Downstream raw materials:

1,2-dichloro-3-(2-chloro-4-bromophenoxy)propane

1,3-dichloro-2-(2-chloro-4-bromophenoxy)propane

4-bromo-6-chloro-2-nitrophenol

2-chloro-4-nitrophenol

Refernces

• 1、 Wang, Ligeng,Feng, Chun,Zhang, Yan,Hu, Jun. "Regioselective monobromination of phenols with KBr and ZnAl–BrO3?–layered double hydroxides". supporting information. . Retrieved 2020/02/22.
• 2、 Ma, Xiantao,Yu, Jing,Jiang, Mengyuan,Wang, Mengyu,Tang, Lin,Wei, Mengmeng,Zhou, Qiuju. "Mild and Regioselective Bromination of Phenols with TMSBr". supporting information. p. 4593 - 4596. Retrieved 2019/07/05.