Tetrabromophenolphthalein

Base Information

• Chemical Name: Tetrabromophenolphthalein
• CAS No.: 76-62-0
• Molecular Formula: C20H10Br4O4
• Molecular Weight: 633.913
• European Community (EC) Number: 200-974-9,624-058-7
• NSC Number: 21261
• UNII: YZ4HT20I0V
• DSSTox Substance ID: DTXSID0058801
• Nikkaji Number: J4.182C
• Wikidata: Q27294798
• Pharos Ligand ID: YYDVQ7VWK7QR
• ChEMBL ID: CHEMBL521800
• Mol file: 76-62-0.mol

Synonyms:3',3'',5',5''-tetrabromophenolphthalein

Chemical Property of Tetrabromophenolphthalein

Chemical Property:

• Appearance/Colour: white to off-white powder
• Vapor Pressure: 6.34E-15mmHg at 25°C
• Melting Point: 294 °C
• Refractive Index: 1.74
• Boiling Point: 598.6 °C at 760 mmHg
• PKA: 6.20(at 25℃)
• Flash Point: 315.8 °C
• PSA: 66.76000
• Density: 2.152 g/cm³
• LogP: 6.61010
• Solubility.: Solubility Practically insoluble in water; soluble in ethanol, e
• XLogP3: 6.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 633.72716
• Heavy Atom Count: 28
• Complexity: 551

Purity/Quality:

98%,99%, ^*data from raw suppliers

3',3',5',5'-TETRABROMOPHENOLPHTHALEIN 95.00% ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=O)OC2(C3=CC(=C(C(=C3)Br)O)Br)C4=CC(=C(C(=C4)Br)O)Br

Technology Process of Tetrabromophenolphthalein

There total 3 articles about Tetrabromophenolphthalein 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: 96.0%

phenolphthalein (77-09-8) → 3,3-bis(3,5-dibromo-4-hydroxyphenyl)phthalide (76-62-0)

Guidance literature:

With sulfuric acid; cis-(2-(1H-imidazol-2-yl)pyridine)-(2-(imidazol-2-yl)pyridine)dioxidovanadate(V) tris(aqua); dihydrogen peroxide; potassium bromide; In methanol; water; at 20 ℃; for 0.5h; pH=2 - 3;

DOI:10.1080/00958972.2019.1618848

Reference yield:

phenolphthalin (81-90-3) → 3,3-bis(3,5-dibromo-4-hydroxyphenyl)phthalide (76-62-0)

Guidance literature:

With ethanol; bromine; acetic acid;

Reference yield:

→ 3,3-bis(3,5-dibromo-4-hydroxyphenyl)phthalide (76-62-0)

Guidance literature:

Phenolphthalein, Br2;

DOI:10.1039/j29700000530

upstream raw materials:

phenolphthalin

phenolphthalein

Downstream raw materials:

2-(3,5,3',5'-tetrabromo-4,4'-dihydroxy-benzhydryl)-benzoic acid

2,6-dibromophenol

1,3-dibromo-2-hydroxyanthraquinone

phenolphthalin

Refernces

• 1、 Sun, Meng,Zhang, Shaowei,Zhang, Jie,Xia, Wen,Chen, Jialiang,Yu, Xianyong. "Crystal structure and catalytic properties of a vanadium complex cis-[VO2(Him-py)(im-py)]2·3H2O". . p. 1899 - 1909. Retrieved 2019/06/04.
• 2、 Hajipour, Abdol Reza,Mallakpour, Shadpour E.,Imanieh, Hossein,Pourmousavi, Seied A.. "A controlled and selective bromination of phenols by benzyltriphenylphosphonium tribromide". . p. 272 - 275. Retrieved 2007/10/03.