Bisphenol A bis(3-chloro-2-hydroxypropyl) ether

Base Information

• Chemical Name: Bisphenol A bis(3-chloro-2-hydroxypropyl) ether
• CAS No.: 4809-35-2
• Molecular Formula: C21H26 Cl2 O4
• Molecular Weight: 413.341
• European Community (EC) Number: 621-021-7
• DSSTox Substance ID: DTXSID10963995
• Nikkaji Number: J23.141J
• Mol file: 4809-35-2.mol

Synonyms:4809-35-2;Bisphenol A bis(3-chloro-2-hydroxypropyl) ether;CCRIS 8244;1-chloro-3-[4-[2-[4-(3-chloro-2-hydroxypropoxy)phenyl]propan-2-yl]phenoxy]propan-2-ol;2-Propanol,1,1'-[(1-methylethylidene)bis(4,1-phenyleneoxy)]bis[3-chloro-;BADGE.2HCl;SCHEMBL6131219;DTXSID10963995;Bisphenol A-bis(3-chloro-2-hydroxypropyl) ether;2,2-Bis[4-(3-chloro-2-hydroxypropoxy)phenyl]propane, BADGE-2HCl;5BETA-CHOLANICACID-3ALPHA,12ALPHA-DIOL3-ACETATEMETHYLESTER;Bisphenol A bis(3-chloro-2-hydroxypropyl) ether, analytical standard;1,1'-{Propane-2,2-diylbis[(4,1-phenylene)oxy]}bis(3-chloropropan-2-ol);Bisphenol A-bis(3-chloro-2-hydroxypropyl) ether 100 microg/mL in Acetonitrile

Chemical Property of Bisphenol A bis(3-chloro-2-hydroxypropyl) ether

Chemical Property:

• Boiling Point: 585.1oC at 760 mmHg
• PKA: 12.83±0.20(Predicted)
• Flash Point: 307.7oC
• PSA: 58.92000
• Density: 1.232g/cm3
• LogP: 3.96950
• Storage Temp.: Hygroscopic, Refrigerator, under inert atmosphere
• Solubility.: Choroform (Slightly), Methanol (Slightly)
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 10
• Exact Mass: 412.1208147
• Heavy Atom Count: 27
• Complexity: 369

Purity/Quality:

98%Min ^*data from raw suppliers

Bisphenol A bis(3-chloro-2-hydroxypropyl) ether ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C1=CC=C(C=C1)OCC(CCl)O)C2=CC=C(C=C2)OCC(CCl)O
• Uses: The epoxy resin bisphenol A diglycidyl ether (BADGE), its hydrolysis products and a chlorohydrin of BADGE (BADGE·2HCl), have been examined for their genotoxicity in the micronucleus test and mutagenicity in the Ames Salmonella assay.

Technology Process of Bisphenol A bis(3-chloro-2-hydroxypropyl) ether

There total 3 articles about Bisphenol A bis(3-chloro-2-hydroxypropyl) ether 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: 61.0%

diphenylolpropane diglycidyl ether (1675-54-3,25085-99-8,55774-85-1,91384-80-4) → 1-chloro-3-[4-[2-[4-(3-chloro-2-hydroxypropoxy)phenyl] propan-2-yl]phenoxy]propan-2-ol (4809-35-2)

Guidance literature:

With cerium(III) chloride heptahydrate; In acetonitrile; for 6h; Inert atmosphere; Reflux;

Reference yield:

C18H22O4 (13634-08-7) + 3-[4-[1-[4-(2,3-dihydroxypropoxy)phenyl]-1-methylethyl]phenoxy]propane-1,2-diol (5581-32-8) → C25H33ClO6 + C18H21ClO3 (13717-49-2) + 2-[4-(3-chloro-2-hydroxypropyloxy)phenyl]-2-[4-(2,3-dihydroxypropyloxy)phenyl]propane (227947-06-0) + C23H28Cl2O5 + C23H30O6 + C23H29ClO6 + C25H33Cl3O5 + 1-chloro-3-[4-[2-[4-(3-chloro-2-hydroxypropoxy)phenyl] propan-2-yl]phenoxy]propan-2-ol (4809-35-2)

Guidance literature:

With hydrogenchloride; propylene glycol methyl ether acetate; In 1-methoxy-2-propanol; at 100 - 105 ℃; for 5.5h;

Reference yield:

→ 1-chloro-3-[4-[2-[4-(3-chloro-2-hydroxypropoxy)phenyl] propan-2-yl]phenoxy]propan-2-ol (4809-35-2)

Guidance literature:

d. Diglycidylether von Bisphenol A, HCl;

DOI:10.1002/apmc.1976.050510102

upstream raw materials:

C₁₈H₂₂O₄

3-[4-[1-[4-(2,3-dihydroxypropoxy)phenyl]-1-methylethyl]phenoxy]propane-1,2-diol

diphenylolpropane diglycidyl ether

Downstream raw materials:

racemic 1-chloro-3-(4-(2-(4-(oxiran-2-ylmethoxy)phenyl)propan-2-yl)phenoxy)propan-2-ol

2-[4-(3-chloro-2-hydroxypropyloxy)phenyl]-2-[4-(2,3-dihydroxypropyloxy)phenyl]propane

diphenylolpropane diglycidyl ether

2-[4-(2,3-epoxypropanyloxy)phenyl]-2-[4-(2,3-dihydroxypropanyloxy)phenyl]propane

Refernces

• 1、 -. "Process for manufacturing an alpha-dihydroxy derivative and epoxy resins prepared therefrom". Page/Page column 39-40. . Retrieved 2008/06/13.