2,2-Bis(4-hydroxyphenyl)-1,1,1-trichloroethane

Base Information

Chemical Name:2,2-Bis(4-hydroxyphenyl)-1,1,1-trichloroethane
CAS No.:2971-36-0
Molecular Formula:C14H11 Cl3 O2
Molecular Weight:317.599
Hs Code.:2908199090
European Community (EC) Number:623-854-1
NSC Number:7045
UNII:H58165YO91
DSSTox Substance ID:DTXSID8022325
Nikkaji Number:J42.984H
Wikipedia:HPTE
Wikidata:Q26841186
Pharos Ligand ID:QM683XY6SKV8
Metabolomics Workbench ID:54907
ChEMBL ID:CHEMBL196585
Mol file:2971-36-0.mol

Synonyms:2,2-bis(4-hydroxyphenyl)-1,1,1-trichloroethane;2,2-bis(p-hydroxyphenyl)-1,1,1-trichloroethane;HPTE cpd

Suppliers and Price of 2,2-Bis(4-hydroxyphenyl)-1,1,1-trichloroethane

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
2,2-Bis(4-hydroxyphenyl)-1,1,1-trichloroethane
1g
$ 130.00

Sigma-Aldrich
1,1,1-TRICHLORO-2,2-BIS(4-HYDROXYPHENYL)ETHANE Aldrich
1g
$ 162.00

Medical Isotopes, Inc.
2,2-Bis(4-hydroxyphenyl)-1,1,1-trichloroethane-d8(Major)
25 mg
$ 1710.00

Biosynth Carbosynth
2,2-Bis(4-hydroxyphenyl)-1,1,1-trichloroethane
1 g
$ 199.90

Biosynth Carbosynth
2,2-Bis(4-hydroxyphenyl)-1,1,1-trichloroethane
500 mg
$ 115.00

Biosynth Carbosynth
2,2-Bis(4-hydroxyphenyl)-1,1,1-trichloroethane
5 g
$ 660.70

Biosynth Carbosynth
2,2-Bis(4-hydroxyphenyl)-1,1,1-trichloroethane
2 g
$ 363.40

Biosynth Carbosynth
2,2-Bis(4-hydroxyphenyl)-1,1,1-trichloroethane
10 g
$ 1201.20

American Custom Chemicals Corporation
1,1,1-TRICHLORO-2,2-BIS(4-HYDROXYPHENYL)ETHANE 95.00%
1G
$ 704.55

AK Scientific
2,2-Bis(4-hydroxyphenyl)-1,1,1-trichloroethane
1g
$ 319.00

Total 15 raw suppliers

Chemical Property of 2,2-Bis(4-hydroxyphenyl)-1,1,1-trichloroethane

Chemical Property:

Melting Point:204-208oC(lit.)
Refractive Index:1.4521 (estimate)
Boiling Point:432.99°C (rough estimate)
PKA:9.40±0.10(Predicted)
PSA：40.46000
Density:1.3297 (rough estimate)
LogP:4.59990
Storage Temp.:Hygroscopic, -20°C Freezer, Under inert atmosphere
Solubility.:Acetone (Slightly), DMSO (Slightly), Ethanol (Slightly), Methanol (Slightly)
Water Solubility.:76mg/L(temperature not stated)
XLogP3:4.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:315.982463
Heavy Atom Count:19
Complexity:255

Purity/Quality:

99% ^*data from raw suppliers

2,2-Bis(4-hydroxyphenyl)-1,1,1-trichloroethane ^*data from reagent suppliers

Safty Information:

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

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=CC=C1C(C2=CC=C(C=C2)O)C(Cl)(Cl)Cl)O
Uses 2,2-Bis(4-hydroxyphenyl)-1,1,1-trichloroethane is an active metabolite of Methoxychlor that acts via the estrogen receptor (ER) to stimulate estrogen response element (ERE)-mediated gene transcription in estrogen-sensitive tissues. 2,2-Bis(4-hydroxyphenyl)-1,1,1-trichloroethane is used in epoxy resins and other epoxide compositions as industrial materials and electric insulators.

Technology Process of 2,2-Bis(4-hydroxyphenyl)-1,1,1-trichloroethane

There total 9 articles about 2,2-Bis(4-hydroxyphenyl)-1,1,1-trichloroethane 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:

: 75-87-6
chloral

: 108-95-2,27073-41-2
phenol

: 2971-36-0
2,2-bis(p-hydroxyphenyl)-1,1,1-trichloroethane

Guidance literature:: With aluminium trichloride;

Reference yield:

: 72-43-5,105367-23-5
Methoxychlor

: 2971-36-0
2,2-bis(p-hydroxyphenyl)-1,1,1-trichloroethane

Guidance literature:: With boron tribromide; In dichloromethane; for 24h;
DOI:10.1124/mol.58.4.852

Reference yield:

: 108-95-2,27073-41-2
phenol

: 2971-36-0
2,2-bis(p-hydroxyphenyl)-1,1,1-trichloroethane

Guidance literature:: Multi-step reaction with 2 steps

1: potassium carbonate

2: glacial acetic acid; concentrated sulfuric acid

With sulfuric acid; potassium carbonate; acetic acid;