2,4-Dibromophenol

Base Information

• Chemical Name: 2,4-Dibromophenol
• CAS No.: 615-58-7
• Molecular Formula: C6H4 Br2 O
• Molecular Weight: 251.905
• Hs Code.: 2908199090
• European Community (EC) Number: 210-436-5
• NSC Number: 6213
• UNII: IA75T5C9TG
• DSSTox Substance ID: DTXSID1052290
• Nikkaji Number: J60.202G
• Wikipedia: 2,4-Dibromophenol
• Wikidata: Q209199
• Metabolomics Workbench ID: 45257
• ChEMBL ID: CHEMBL186858
• Mol file: 615-58-7.mol

Synonyms:2,4-dibromophenol

Chemical Property of 2,4-Dibromophenol

Chemical Property:

• Appearance/Colour: White or light yellow solid to liquid
• Vapor Pressure: 0.0274mmHg at 25°C
• Melting Point: 36-39 ºC
• Refractive Index: 1.5380 (estimate)
• Boiling Point: 154 ºC (11 torr)，238.5 °C at 760 mmHg
• PKA: 7.86±0.18(Predicted)
• Flash Point: 101.2 °C
• PSA: 20.23000
• Density: 2.095 g/cm³
• LogP: 2.91720
• Storage Temp.: room temp
• Water Solubility.: Practically insoluble in water
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 251.86084
• Heavy Atom Count: 9
• Complexity: 97.1

Purity/Quality:

99% ^*data from raw suppliers

2,4-Dibromophenol ^*data from reagent suppliers

Safty Information:

• Hazard Codes: T,Xi,Xn
• Statements: 36/37/38-25-20/21/22
• Safety Statements: 45-37/39-28A-26-36/37/39-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=C(C=C1Br)Br)O

Technology Process of 2,4-Dibromophenol

There total 58 articles about 2,4-Dibromophenol 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: 99.0%

phenol (108-95-2,27073-41-2) → 4-bromo-phenol (106-41-2) + 2,4-dibromophenol (615-58-7)

Guidance literature:

With dihydrogen peroxide; methyltrioxorhenium(VII); sodium bromide; for 0.166667h;

DOI:10.1021/jo9817164

Reference yield: 98.0%

4-bromo-phenol (106-41-2) → 2,4-dibromophenol (615-58-7)

Guidance literature:

With N-bromosaccharin; In tetrahydrofuran; at 0 ℃; for 0.133333h; regioselective reaction;

DOI:10.4067/S0717-97072011000400008

Reference yield: 98.0%

phenol (108-95-2,27073-41-2) → 2,4-dibromophenol (615-58-7)

Guidance literature:

With dihydrogen peroxide; vanadia; potassium bromide; In chloroform; water; at 24.84 ℃; under 760.051 Torr;

DOI:10.1016/j.apcata.2010.05.053

upstream raw materials:

benzoic acid phenyl ester

4-bromo-phenol

2,4-dibromo-aniline

3,5-dibromosalicylic acid

Downstream raw materials:

3-(2,4-dibromo-phenoxy)-propionic acid

3,5-Dibromosalicylaldehyde

(2,4-dibromo-phenyl)-propyl ether

methacrylic acid-(2,4-dibromo-phenyl ester)

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、 Wu, Yong-Qi,Lu, Hai-Jia,Zhao, Wen-Ting,Zhao, Hong-Yi,Lin, Zi-Yun,Zhang, Dong-Feng,Huang, Hai-Hong. "A convenient and efficient H2SO4-promoted regioselective monobromination of phenol derivatives using N-bromosuccinimide". supporting information. p. 813 - 822. Retrieved 2020/02/15.