3,5-Dibromophenol

Base Information

• Chemical Name: 3,5-Dibromophenol
• CAS No.: 626-41-5
• Molecular Formula: C6H4Br2O
• Molecular Weight: 251.905
• Hs Code.: 29081990
• European Community (EC) Number: 629-188-8
• DSSTox Substance ID: DTXSID70211646
• Nikkaji Number: J94.907H
• Wikidata: Q223012
• ChEMBL ID: CHEMBL450082
• Mol file: 626-41-5.mol

Synonyms:3,5-DIBROMOPHENOL;626-41-5;Phenol, 3,5-dibromo-;3,5-Dibromphenol;3,5-Dibromo-phenol;MFCD06411376;3, 5-dibromophenol;3-,5-dibromophenol;3,5-Dibromophenol, 97%;SCHEMBL309955;CHEMBL450082;DTXSID70211646;BCP05888;TD1260;AKOS005068134;CS-W007905;GS-3389;AC-28709;SY012996;A8659;AM20040895;D3820;FT-0612051;EN300-113704;Q223012;J-511271

Chemical Property of 3,5-Dibromophenol

Chemical Property:

• Appearance/Colour: White crystal
• Vapor Pressure: 0.00257mmHg at 25°C
• Melting Point: 79-83 °C(lit.)
• Refractive Index: 1.643
• Boiling Point: 278.1 °C at 760 mmHg
• PKA: pK1:8.056 (25°C)
• Flash Point: 122 °C
• PSA: 20.23000
• Density: 2.095 g/cm³
• LogP: 2.91720
• Storage Temp.: Keep Cold
• Water Solubility.: Sightly soluble in water. Soluble in methanol.
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 251.86084
• Heavy Atom Count: 9
• Complexity: 87.1

Purity/Quality:

99% ^*data from raw suppliers

3,5-Dibromophenol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn,Xi
• Hazard Codes: Xn,Xi
• Statements: 22-36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=C(C=C(C=C1Br)Br)O
• Uses: 3,5-Dibromophenol is used as a pharmaceutical intermediate. It is also used to prepare aromatic polyesters and drugs for arthritis.

Technology Process of 3,5-Dibromophenol

There total 21 articles about 3,5-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%

3,5-dibromoanisole (74137-36-3) → 3,5-dibromophenol (626-41-5)

Guidance literature:

With boron tribromide; In dichloromethane; for 8h; Heating;

DOI:10.1021/jo049228l

Reference yield: 95.0%

3,5-dibromophenylboronic acid (117695-55-3) → 3,5-dibromophenol (626-41-5)

Guidance literature:

With dihydrogen peroxide; In water; at 30 ℃; Green chemistry;

DOI:10.1016/j.tetlet.2019.06.018

Reference yield: 88.0%

Pentabromophenol (608-71-9) → 3,5-dibromophenol (626-41-5)

Guidance literature:

With aluminium trichloride; In benzene; for 3h; Heating;

DOI:10.1081/SCC-120023989

upstream raw materials:

1,3,5-trisbromobenzene

sodium methylate

Pentabromophenol

3,5-dibromoaniline

Downstream raw materials:

1,3-dibromo-5-(hexyloxy)benzene

1,3-dibromo-5-(methoxymethoxy)benzene

3,5-dibromo-(2-(2-(2-(2-methoxyethoxy)ethoxy)ethoxy)ethoxy)benzene

3,5-dibromo-1-(1H,1H,2H,2H,3H,3H-perfluorononane-1-yloxy)benzene

Refernces

• 1、 -. "A containing pyrimidine group rigid conjugated macrocyclic compound and its preparation method and application (by machine translation)". Paragraph 0034; 0049; 0050. . Retrieved 2017/05/18.
• 2、 Trawny, Daniel,Kunz, Valentin,Reissig, Hans-Ulrich. "Modular syntheses of star-shaped pyridine, bipyridine, and terpyridine derivatives by employing sonogashira reactions". . p. 6295 - 6302. Retrieved 2015/03/30.