Tetrachlorobisphenol A

Base Information

• Chemical Name: Tetrachlorobisphenol A
• CAS No.: 79-95-8
• Deprecated CAS: 27360-90-3,29155-33-7,4112-94-1,2396737-92-9,29155-33-7,4112-94-1
• Molecular Formula: C15H12 Cl4 O2
• Molecular Weight: 366.071
• European Community (EC) Number: 201-237-4
• NSC Number: 67465,18248
• UNII: FO0P9ET4BN
• DSSTox Substance ID: DTXSID3021770
• Nikkaji Number: J53.760H
• Wikidata: Q27116363
• ChEMBL ID: CHEMBL1738928
• Mol file: 79-95-8.mol

Synonyms:4,4'-(1-methylethylidene)bis(2,6-dichlorophenol);TCBPA cpd;tetrachlorobisphenol A;tetrachlorodian

Chemical Property of Tetrachlorobisphenol A

Chemical Property:

• Melting Point: 134 °C
• Boiling Point: 401.9 °C at 760 mmHg
• PKA: 8.59±0.10(Predicted)
• Flash Point: 196.8 °C
• PSA: 40.46000
• Density: 1.479 g/cm³
• LogP: 6.03730
• Storage Temp.: Refrigerator
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• XLogP3: 6.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 365.956190
• Heavy Atom Count: 21
• Complexity: 310

Purity/Quality:

99% ^*data from raw suppliers

3,5,3'',5''-TetrachlorobisphenolA ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Plastics & Rubber -> Epoxy Resins
• Canonical SMILES: CC(C)(C1=CC(=C(C(=C1)Cl)O)Cl)C2=CC(=C(C(=C2)Cl)O)Cl
• Uses: The compound exhibitis antithyroid hormone activity like Bisphenol A and Tetrabromobisphenol A. Flame Retardant The compound exhibiti

Technology Process of Tetrachlorobisphenol A

There total 4 articles about Tetrachlorobisphenol 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: 31.0%

BPA (80-05-7) → 2,2-bis(3-chloro-4-hydroxyphenyl)propane (79-98-1) + Tetrachlorobisphenol A (79-95-8) + 3-Chlorobisphenol A (74192-35-1) + 2-(3-chloro-4-hydroxyphenyl)-2-(3,5-dichloro-4-hydroxyphenyl)propane (40346-55-2)

Guidance literature:

With sodium hypochlorite; In methanol; at 20 ℃; for 11h;

DOI:10.1016/S0045-6535(00)00507-5

Reference yield:

BPA (80-05-7) → 2,6-Dichlorophenol (87-65-0) + 2,3-dichloro-2-methylbutane (507-45-9) + 2,6-dichloro-1,4-benzoquinone (697-91-6) + 2,2-bis(3-chloro-4-hydroxyphenyl)propane (79-98-1) + Tetrachlorobisphenol A (79-95-8) + 1,3-Dichloroacetone (534-07-6) + 2,4,6-Trichlorophenol (88-06-2,67471-29-8)

Guidance literature:

With sodium chloride; In water; at 20 ℃; Concentration; Kinetics; Electrolysis;

DOI:10.1016/j.electacta.2016.11.086

Reference yield:

BPA (80-05-7) → Tetrachlorobisphenol A (79-95-8)

Guidance literature:

With chlorine; acetic acid; at 35 ℃;

upstream raw materials:

BPA

Downstream raw materials:

2,2-bis-(4-allyloxycarbonyloxy-3,5-dichloro-phenyl)-propane

C₂₇H₁₆Cl₆N₂O₆

2,2-bis[4-(4-maleimidobenzoyloxy)phenyl]propane

2.2-Bis-<4-butyloxycarbonyloxy-3.5-dichlor-phenyl>-propan

Refernces

• 1、 Solakyildirim, Kemal,Bulloch, Daryl N.,Larive, Cynthia K.. "1H and 13C NMR spectral assignments of halogenated transformation products of pharmaceuticals and related environmental contaminants". . p. 310 - 317. Retrieved 2014/06/09.
• 2、 -. "Flame retardant thermoplastic resin composition". . . Retrieved 2008/06/13.