4,4'-(Chloro(phenyl)methylene)bis(fluorobenzene)

Base Information

• Chemical Name: 4,4'-(Chloro(phenyl)methylene)bis(fluorobenzene)
• CAS No.: 379-54-4
• Molecular Formula: C19H13ClF2
• Molecular Weight: 314.762
• Hs Code.: 2903999090
• DSSTox Substance ID: DTXSID50561893
• Wikidata: Q72457134
• Mol file: 379-54-4.mol

Synonyms:4,4'-(chloro(phenyl)methylene)bis(fluorobenzene);379-54-4;1-[chloro-(4-fluorophenyl)-phenylmethyl]-4-fluorobenzene;Benzene, 1,1'-(chlorophenylmethylene)bis[4-fluoro-;SCHEMBL1443908;DTXSID50561893;FYPNFOAHWMDUQH-UHFFFAOYSA-N;CS-B0052;bis(4-fluorophenyl)phenylchloromethane;AKOS015902246;CS-14098;A25740;1,1'-[Chloro(phenyl)methylene]bis(4-fluorobenzene)

Chemical Property of 4,4'-(Chloro(phenyl)methylene)bis(fluorobenzene)

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.583
• Boiling Point: 385.614 °C at 760 mmHg
• Flash Point: 222.279 °C
• PSA: 0.00000
• Density: 1.246 g/cm³
• LogP: 5.49550
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: 5.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 314.0673844
• Heavy Atom Count: 22
• Complexity: 315

Purity/Quality:

97% ^*data from raw suppliers

4,4'-(Chloro(phenyl)methylene)bis(fluorobenzene) 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(C2=CC=C(C=C2)F)(C3=CC=C(C=C3)F)Cl

Technology Process of 4,4'-(Chloro(phenyl)methylene)bis(fluorobenzene)

There total 2 articles about 4,4'-(Chloro(phenyl)methylene)bis(fluorobenzene) 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:

bis(4-fluorophenyl)phenylmethanol (379-55-5) → bis(4-fluorophenyl)phenylchloromethane (379-54-4)

Guidance literature:

With hydrogenchloride; Petroleum ether;

DOI:10.1021/jo01220a011

Reference yield:

benzoic acid methyl ester (93-58-3,5705-52-2,80226-58-0) → bis(4-fluorophenyl)phenylchloromethane (379-54-4)

Guidance literature:

Multi-step reaction with 2 steps

1: diethyl ether

2: HCl; petroleum ether

With hydrogenchloride; diethyl ether; Petroleum ether;

DOI:10.1021/jo01220a011

Reference yield: 67.0%

bis(4-fluorophenyl)phenylchloromethane (379-54-4) + copper(I) cyanide (544-92-3) → bis(4-fluorophenyl)phenylacetonitrile (289656-82-2)

Guidance literature:

In toluene; at 100 - 140 ℃; for 3.16667h;

upstream raw materials:

bis(4-fluorophenyl)phenylmethanol

benzoic acid methyl ester

Downstream raw materials:

CDD₃₅₄₃

Trifluoro-acetic acid bis-(4-fluoro-phenyl)-phenyl-methyl ester

bis(4-fluorophenyl)phenylacetonitrile