3,4-Dibromophenol

Base Information

• Chemical Name: 3,4-Dibromophenol
• CAS No.: 615-56-5
• Molecular Formula: C6H4 Br2 O
• Molecular Weight: 251.905
• Hs Code.: 2908199090
• European Community (EC) Number: 612-174-0
• DSSTox Substance ID: DTXSID40210469
• Nikkaji Number: J79.741C
• Wikidata: Q222989
• Mol file: 615-56-5.mol

Synonyms:3,4-DIBROMOPHENOL;615-56-5;SCHEMBL1047274;DTXSID40210469;MB00539;FT-0704455;EN300-133613;Q222989

Chemical Property of 3,4-Dibromophenol

Chemical Property:

• Vapor Pressure: 0.00155mmHg at 25°C
• Boiling Point: 286.3°C at 760 mmHg
• PKA: 8.43±0.18(Predicted)
• Flash Point: 126.9°C
• PSA: 20.23000
• Density: 2.095g/cm³
• LogP: 2.91720
• 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:

98%min ^*data from raw suppliers

3,4-Dibromo-phenol 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1O)Br)Br
• Uses: 3,4-Dibromophenol is a standard for environmental testing and research. Determination of urinary bromophenols (BrPs) as potential biomarkers for human exposure to polybrominated di-Ph ethers (PBDEs) using gas chromatography-tandem mass spectrometry (GC-MS/MS).

Technology Process of 3,4-Dibromophenol

There total 11 articles about 3,4-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: 100.0%

tris(3,4-dibromophenyl)oxonium borofluoride → 3,4-dibromophenol (615-56-5) + 3,3',4,4'-tetrabromodiphenyl ether (93703-48-1)

Guidance literature:

With sodium hydroxide; for 4h; Heating;

DOI:10.1007/BF00949002

Reference yield: 92.0%

tert-butyl(3,4-dibromophenoxy)dimethylsilane (1086964-79-5) → 3,4-dibromophenol (615-56-5)

Guidance literature:

With tetrabutyl ammonium fluoride;

DOI:10.1055/s-2008-1078269

Reference yield: 65.0%

3,4-dibromoaniline (615-55-4) → 3,4-dibromophenol (615-56-5)

Guidance literature:

3,4-dibromoaniline; With trifluoroacetic acid; sodium nitrite; at 0 ℃;

With sulfuric acid; sodium sulfate; for 0.833333h; Heating;

DOI:10.1021/es0107475

upstream raw materials:

3-Bromophenol

3,4-dibromoaniline

2,3-dibromophenol

2,3-dibromobenzene

Downstream raw materials:

4-hydroxy-1,2-benzenedicarbonitrile

2,4,5-tribromophenol

2,3,4-tribromo-phenol

3,4-dibromoanisole

Refernces

• 1、 -. "Synthetic method of 2-(3,4-dibromophenoxy)acetic acid". Paragraph 0010. . Retrieved 2017/04/03.
• 2、 Iqbal, Zafar,Lyubimtsev, Alexey,Hanack, Michael. "Synthesis of phthalonitriles using a palladium catalyst". experimental part. p. 2287 - 2290. Retrieved 2009/05/07.