Tribromobisphenol A

Base Information

• Chemical Name: Tribromobisphenol A
• CAS No.: 6386-73-8
• Deprecated CAS: 105662-13-3
• Molecular Formula: C15H13 Br3 O2
• Molecular Weight: 464.979
• Hs Code.: 2908199090
• European Community (EC) Number: 228-988-0
• UNII: 25MI3KZ1HF
• DSSTox Substance ID: DTXSID3064302
• Nikkaji Number: J207.000F
• Wikidata: Q27104267
• Metabolomics Workbench ID: 52093
• ChEMBL ID: CHEMBL184398
• Mol file: 6386-73-8.mol

Synonyms:Tribromobisphenol A;6386-73-8;3,3',5-Tribromobisphenol A;2,6-dibromo-4-[2-(3-bromo-4-hydroxyphenyl)propan-2-yl]phenol;2,6-dibromo-4-[1-(3-bromo-4-hydroxyphenyl)-1-methylethyl]phenol;Phenol, 2,6-dibromo-4-[1-(3-bromo-4-hydroxyphenyl)-1-methylethyl]-;UNII-25MI3KZ1HF;2,6-Dibromo-4-(1-(3-bromo-4-hydroxyphenyl)-1-methylethyl)phenol;25MI3KZ1HF;CHEMBL184398;CHEBI:33218;HSDB 8093;EINECS 228-988-0;Phenol, 2,6-dibromo-4-(1-(3-bromo-4-hydroxyphenyl)-1-methylethyl)-;Tribromo bisphenol A;3,5,5'-tribromobisphenol A;3,3',5-Tri-Br-BPA;C15H13Br3O2;3,3'',5-tribromobisphenol A;SCHEMBL6572582;DTXSID3064302;BP_39;C15-H13-Br3-O2;TRIBROMOBISPHENOL A [HSDB];BDBM50150790;tribromodian: tribromodihydroxy diphenylpropane;Q27104267;3,3',5'-Tribromo-4,4'-dihydroxy-diphenyl-dimethyl-methane;PHENOL, 2,2',6-TRIBROMO-4,4'-ISOPROPYLIDENEDI-

Chemical Property of Tribromobisphenol A

Chemical Property:

• Vapor Pressure: 2.05E-07mmHg at 25°C
• Melting Point: 107-110 °C
• Boiling Point: 413.1°C at 760 mmHg
• PKA: 8.85±0.10(Predicted)
• Flash Point: 203.6°C
• PSA: 40.46000
• Density: 1.873g/cm³
• LogP: 5.71120
• XLogP3: 6.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 463.84452
• Heavy Atom Count: 20
• Complexity: 325

Purity/Quality:

99%, ^*data from raw suppliers

2,6-DIBROMO-4-[1-(3-BROMO-4-HYDROXYPHENYL)-1-METHYLETHYL]PHENOL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C1=CC(=C(C=C1)O)Br)C2=CC(=C(C(=C2)Br)O)Br

Technology Process of Tribromobisphenol A

There total 4 articles about Tribromobisphenol A 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: 75.0%

→ 3,3',5-Tribromobisphenol A (6386-73-8)

Guidance literature:

With bromine; In ethanol; at 20 ℃; for 3h; Cooling with ice;

Reference yield: 65.0%

BPA (80-05-7) → 3,3',5-Tribromobisphenol A (6386-73-8)

Guidance literature:

With N-Bromosuccinimide; In N,N-dimethyl-formamide; Reagent/catalyst; Solvent;

DOI:10.1002/cbdv.202000481

Reference yield:

Tetrabromobisphenol A (79-94-7) → 3,3',5-Tribromobisphenol A (6386-73-8) + phenol (108-95-2,27073-41-2)

Guidance literature:

With iron(III) oxide; dihydrogen peroxide; In methanol; water; for 4h; pH=6.7; UV-irradiation;

DOI:10.1166/jnn.2014.8967

upstream raw materials:

BPA

Tetrabromobisphenol A

Refernces

• 1、 -. "Efficient synthesis of various bromo bisphenol A allyl ether derivatives". Paragraph 0068; 0070; 0076; 0077. . Retrieved 2018/06/14.
• 2、 Eriksson, Johan,Rahm, Sara,Green, Nicholas,Bergman, Ake,Jakobsson, Eva. "Photochemical transformations of tetrabromobisphenol A and related phenols in water". . p. 117 - 126. Retrieved 2007/10/03.