2-Bromo-5-chlorophenol

Base Information

• Chemical Name: 2-Bromo-5-chlorophenol
• CAS No.: 13659-23-9
• Molecular Formula: C6H4BrClO
• Molecular Weight: 207.454
• Hs Code.: 2908199090
• DSSTox Substance ID: DTXSID80534671
• Nikkaji Number: J801.761A
• Wikidata: Q72453205
• Mol file: 13659-23-9.mol

Synonyms:2-Bromo-5-chlorophenol;13659-23-9;Phenol, 2-bromo-5-chloro-;2-bromo-5-chloro-phenol;MFCD00142870;5-chloro 2-bromophenol;SCHEMBL897593;DTXSID80534671;FMRKYXVZQWHGDA-UHFFFAOYSA-N;AKOS015890235;CS-W002419;SY024323;AM20050175;EN300-126714;J-508347

Chemical Property of 2-Bromo-5-chlorophenol

Chemical Property:

• Vapor Pressure: 0.069mmHg at 25°C
• Refractive Index: 1.619
• Boiling Point: 222.158 °C at 760 mmHg
• PKA: 7.47±0.10(Predicted)
• Flash Point: 88.159 °C
• PSA: 20.23000
• Density: 1.788 g/cm³
• LogP: 2.80810
• Storage Temp.: Keep Cold
• 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-5-chlorophenol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

Useful:

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

Technology Process of 2-Bromo-5-chlorophenol

There total 14 articles about 2-Bromo-5-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: 32.0%

2-bromo-5-chloroanisole (174913-09-8) → 2-Bromo-5-chlorophenol (13659-23-9)

Guidance literature:

With boron tribromide; In dichloromethane; at -40 - 20 ℃; for 12.33h;

Reference yield: 25.0%

3-monochlorophenol (108-43-0) → 2-Bromo-5-chlorophenol (13659-23-9)

Guidance literature:

With bromine; In dichloromethane; at 0 - 20 ℃; for 16h;

Reference yield:

3-monochlorophenol (108-43-0) → 2,4-dibromo-5-chlorophenol (89284-48-0) + 2-Bromo-5-chlorophenol (13659-23-9) + 4-bromo-3-chlorophenol (13631-21-5) + 2-bromo-3-chlorophenol (855836-62-3)

Guidance literature:

With tetrafluoroboric acid diethyl ether; N-Bromosuccinimide; In acetonitrile; for 2h; Yield given. Yields of byproduct given; Ambient temperature;

DOI:10.1021/jo9622993

upstream raw materials:

1-bromo-2,4-dichlorobenzene

sodium methylate

2-bromo-5-chloroaniline

3-monochlorophenol

Downstream raw materials:

1-bromo-4-chloro-2-(difluoromethoxy)benzene

1-bromo-4-chloro-2-[(phenylmethyl)-oxy]-benzene

2-bromo-5-chloroanisole

Refernces

• 1、 Suresh, Palaniswamy,Annalakshmi, Subramanian,Pitchumani, Kasi. "Regioselective monobromination of substituted phenols in the presence of β-cyclodextrin". . p. 4959 - 4967. Retrieved 2008/02/02.
• 2、 -. "SEROTONERGIC BENZOFURANS". Page/Page column 30. . Retrieved 2010/02/04.