4,4'-Dichlorobenzhydrol

Base Information

• Chemical Name: 4,4'-Dichlorobenzhydrol
• CAS No.: 90-97-1
• Molecular Formula: C13H10Cl2O
• Molecular Weight: 253.128
• Hs Code.: 2906299090
• European Community (EC) Number: 202-029-6
• NSC Number: 121779,5250
• UNII: CR5KH591G4
• DSSTox Substance ID: DTXSID5075367
• Nikkaji Number: J82.224H
• Wikidata: Q27894524
• Mol file: 90-97-1.mol

Synonyms:4,4'-dichlorobenzhydrol;4,4'-dichlorobenzhydrol, (ar)-isomer

Chemical Property of 4,4'-Dichlorobenzhydrol

Chemical Property:

• Appearance/Colour: cream to light brown granular powder
• Melting Point: 91-95 °C
• Boiling Point: 386.1 °C at 760 mmHg
• PKA: 13.14±0.20(Predicted)
• Flash Point: 145.5 °C
• PSA: 20.23000
• Density: 1.325 g/cm³
• LogP: 4.07510
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• Water Solubility.: Insoluble in water.
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 252.0108703
• Heavy Atom Count: 16
• Complexity: 184

Purity/Quality:

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

4,4''-Dichlorobenzhydrol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn,Xi
• Hazard Codes: Xn,Xi
• Statements: 36/37/38-22
• Safety Statements: 37/39-26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(C2=CC=C(C=C2)Cl)O)Cl
• Uses: 4,4'-Dichlorobenzhydrol is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuff fields.

Technology Process of 4,4'-Dichlorobenzhydrol

There total 32 articles about 4,4'-Dichlorobenzhydrol 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: 100.0%

4,4'-Dichlorobenzophenone (90-98-2) → 4,4'-dichlorobenzophenone (90-97-1)

Guidance literature:

With sodium tetrahydroborate; In methanol; at 0 - 20 ℃;

DOI:10.1080/00397910801982340

Reference yield: 92.0%

4-chlorobenzaldehyde (104-88-1) + (4-chlorphenyl)magnesium bromide (873-77-8) → 4,4'-dichlorobenzophenone (90-97-1)

Guidance literature:

In diethyl ether; at 0 ℃; for 1h; Inert atmosphere;

DOI:10.1021/ja103618r

Reference yield: 88.0%

4,4'-Dichlorobenzophenone (90-98-2) → benzophenone (119-61-9) + 1,1-Diphenylmethanol (91-01-0) + 4,4'-dichlorobenzophenone (90-97-1) + Diphenylmethane (101-81-5)

Guidance literature:

With potassium hydroxide; hydrogen; palladium on activated charcoal; In 2,2,4-trimethylpentane; at 50 ℃; for 0.5h; Product distribution; various time; also in the presence of Aliquat 336; further halogenated derivatives of aromatic ketones;

DOI:10.1021/jo00113a024

upstream raw materials:

tetrakis-(4-chloro-phenyl)-ethane-1,2-diol

acetic acid

4,4'-Dichlorobenzophenone

methanol

Downstream raw materials:

3-(4,4'-dichloro-benzhydryl)-4-hydroxy-7-methoxy-coumarin

4,4'-Dichlorobenzhydryl acetate

[bis(4-chlorophenyl)methyl](phenyl)sulfane

bis-4,4'-dichlorobenzhydryl ether

Refernces

• 1、 Yadav, Dibya,Misra, Shilpi,Kumar, Dheeraj,Singh, Suryabhan,Singh, Amrendra K.. "Cationic ruthenium(II)–NHC pincer complexes: Synthesis, characterisation and catalytic activity for transfer hydrogenation of ketones". . . Retrieved 2021/05/12.
• 2、 Eskandari, Parvin,Kazemi, Foad,Ramdar, Moosa,Zand, Zahra. "Enhanced catalytic activity of one-dimensional CdS @TiO2 core-shell nanocomposites for selective organic transformations under visible LED irradiation". . . Retrieved 2021/07/10.