2-Bromo-4-chlorophenol

Base Information

• Chemical Name: 2-Bromo-4-chlorophenol
• CAS No.: 695-96-5
• Molecular Formula: C6H4BrClO
• Molecular Weight: 207.454
• Hs Code.: 29081000
• European Community (EC) Number: 211-785-6
• NSC Number: 59695
• DSSTox Substance ID: DTXSID20219733
• Nikkaji Number: J101.731D
• Wikidata: Q72453195
• Mol file: 695-96-5.mol

Synonyms:2-Bromo-4-chlorophenol;695-96-5;Phenol, 2-bromo-4-chloro-;C6H4BrClO;4-Chloro-2-bromophenol;EINECS 211-785-6;MFCD00002319;NSC 59695;2-bromo-4-chloro-phenol;4-CHLORO-2-BROMO PHENOL;NSC59695;2-bromo-4-chorophenol;2-bromo-4-chloro phenol;SCHEMBL91153;2-Bromo-4-chlorophenol, 98%;DTXSID20219733;BCP22485;STR03609;NSC-59695;STK397802;AKOS000120637;CS-W019546;AC-15656;A9200;B1522;FT-0611443;EN300-21340;F13393

Chemical Property of 2-Bromo-4-chlorophenol

Chemical Property:

• Appearance/Colour: White to slightly beige low melting solid
• Vapor Pressure: 0.0153mmHg at 25°C
• Melting Point: 31-33 °C(lit.)
• Refractive Index: 1.619
• Boiling Point: 248.6 °C at 760 mmHg
• PKA: 7.98±0.18(Predicted)
• Flash Point: 92.2 °C
• PSA: 20.23000
• Density: 1.788 g/cm³
• LogP: 2.80810
• Storage Temp.: 0-10°C
• Solubility.: methanol: 0.1 g/mL, clear
• XLogP3: 3.2
• 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

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

Safty Information:

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

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=C(C=C1Cl)Br)O

Technology Process of 2-Bromo-4-chlorophenol

There total 10 articles about 2-Bromo-4-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: 97.0%

4-chloro-phenol (106-48-9,82344-39-6) → 2-bromo-4-chlorophenol (695-96-5)

Guidance literature:

With ammonium metavanadate; aluminum tri-bromide; oxygen; In diethyl ether; at 20 ℃; for 8h;

DOI:10.1016/j.tet.2010.06.042

Reference yield: 88.0%

C14H23BrClN2O2P → 2-bromo-4-chlorophenol (695-96-5)

Guidance literature:

With hydrogenchloride; In 1,4-dioxane; at 105 ℃; for 1h; regioselective reaction;

DOI:10.1039/d1sc01777b

Reference yield: 86.0%

2-hydroxybromobenzene (95-56-7) → 2-bromo-4-chlorophenol (695-96-5) + 2-bromo-6-chlorophenol (2040-88-2)

Guidance literature:

2-hydroxybromobenzene; With sulfuric acid; In acetonitrile; at 20 ℃; for 0.0833333h;

With N-chloro-succinimide; In acetonitrile; at 20 ℃; for 3h; Reagent/catalyst; regioselective reaction;

DOI:10.1080/00397911.2019.1711415

upstream raw materials:

2,6-dibromo-4-chlorophenol

4-chloro-phenol

2-Bromo-4-chloro-1-(2-chloro-ethoxy)-benzene

2-hydroxybromobenzene

Downstream raw materials:

3-bromo-4-chlorophenol

2-bromo-4-chloro-6-nitro-phenol

2,2-bis-(3-bromo-5-chloro-2-hydroxy-phenyl)-1,1,1-trichloro-ethane

C₁₃H₉BrClNO₄

Refernces

Behavior of Mixed Halogenated Phenols in the Zincke Method of Nitration

10.1021/ja01332a059

The study investigates the behavior of mixed halogenated phenols and cresols in the Zincke method of nitration. Various mixed halogenated phenols, such as 2-bromo-4-chlorophenol, 2-chloro-4-bromophenol, and their derivatives, were prepared and subjected to nitration. The researchers observed that when bromine occupies both ortho and para positions in a phenol or cresol, isomeric mononitro compounds can be formed. For the first time, it was shown that a phenol with hydrogen in one ortho position and bromine in the other can undergo nitration at both positions in the same experiment. Chlorine was found not to be replaceable by the nitro group under the studied conditions. The study also provided further evidence supporting the view that only one acetyl-benzoyl derivative can be prepared from an o-aminophenol regardless of the order of introduction of the acyl radicals.

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