1,1'-(Chloromethylene)bis(4-fluorobenzene)

Base Information

• Chemical Name: 1,1'-(Chloromethylene)bis(4-fluorobenzene)
• CAS No.: 27064-94-4
• Molecular Formula: C13H9ClF2
• Molecular Weight: 238.664
• Hs Code.: 29036990
• European Community (EC) Number: 248-201-4
• UNII: JWE8LJ4HVL
• DSSTox Substance ID: DTXSID70181532
• Nikkaji Number: J307.803E
• Wikidata: Q72462899
• Mol file: 27064-94-4.mol

Synonyms:27064-94-4;4,4'-Difluorobenzhydryl chloride;1,1'-(Chloromethylene)bis(4-fluorobenzene);Chlorobis(4-fluorophenyl)methane;4,4'-(Chloromethylene)bis(fluorobenzene);1-[chloro-(4-fluorophenyl)methyl]-4-fluorobenzene;4,4'-difluorodiphenylmethylchloride;C13H9ClF2;4,4-Difluorodiphenylmethylchloride;JWE8LJ4HVL;EINECS 248-201-4;Chloro bis(4-fluorophenyl)methane;chlorobis-(4-fluorophenyl)methane;bis(p-fluorophenyl)methyl chloride;bis(4-fluorophenyl)methyl chloride;1,1'-(chloromethylene)bis[4-fluorobenzene];Bis(4-fluorophenyl)chloromethane;Chloro bis-(4-fluorophenyl)methane;4,4'-difluorobenzhydrylchloride;1-[chloro(4-fluorophenyl)methyl]-4-fluorobenzene;UNII-JWE8LJ4HVL;SCHEMBL424538;C13-H9-Cl-F2;bis(4-fluorophenyl)methylchloride;di(4-fluorophenyl)methyl chloride;DTXSID70181532;di-(4-fluorophenyl)-chloromethane;FHPNLCLHMNPLEW-UHFFFAOYSA-N;(chloromethylene)bis(fluorobenzene);bis-(4-fluorophenyl)-chloromethane;bis-(4-fluorophenyl)methyl chloride;MFCD00044329;AKOS005169853;Chlorobis(4-fluorophenyl)methane, 97%;CHLOROBIS(P-FLUOROPHENYL)METHANE;AC-29988;alpha-Chloro-4,4'-difluorodiphenylmethane;AS-15267;4,4'-DIFLUORODIPHENYLMETHYL CHLORIDE;D4138;FT-0623634;EN300-21037;W-107131;BENZENE, 1,1'-(CHLOROMETHYLENE)BIS(4-FLUORO-

Chemical Property of 1,1'-(Chloromethylene)bis(4-fluorobenzene)

Chemical Property:

• Appearance/Colour: clear colourless to slightly yellow liquid
• Vapor Pressure: 0.000407mmHg at 25°C
• Refractive Index: n20/D 1.557(lit.)
• Boiling Point: 326.586 °C at 760 mmHg
• Flash Point: 153.1±18.0 °C
• PSA: 0.00000
• Density: 1.26 g/cm³
• LogP: 4.29300
• Sensitive.: Moisture Sensitive
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 238.0360843
• Heavy Atom Count: 16
• Complexity: 184

Purity/Quality:

99% ^*data from raw suppliers

Chlorobis(4-fluorophenyl)methane ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C,Xi,Xn
• Hazard Codes: C,Xi,Xn
• Statements: 34-36/37-38-22
• Safety Statements: 26-27-28-36/37/39-45-38-37/39-28B

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(C2=CC=C(C=C2)F)Cl)F

Technology Process of 1,1'-(Chloromethylene)bis(4-fluorobenzene)

There total 6 articles about 1,1'-(Chloromethylene)bis(4-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: 100.0%

4,4'-difluorobenzhydryl alcohol (365-24-2) → 4,4'-difluorobenzhydryl chloride (27064-94-4)

Guidance literature:

With hydrogenchloride; tetrabutylammomium bromide; In water; at 40 - 45 ℃;

DOI:10.1016/j.bioorg.2019.103217

Reference yield:

4,4'-(oxybis(methylene))bis(fluorobenzene) (61812-54-2) → 4,4'-difluorobenzhydryl chloride (27064-94-4)

Guidance literature:

In hydrogenchloride;

Reference yield:

4,4'-Difluorobenzophenone (345-92-6) → 4,4'-difluorobenzhydryl chloride (27064-94-4)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium tetrahydroborate / tetrahydrofuran; methanol / 0.5 h / 0 °C

2: oxalyl dichloride; N,N-dimethyl-formamide / dichloromethane / 20 °C

With sodium tetrahydroborate; oxalyl dichloride; N,N-dimethyl-formamide; In tetrahydrofuran; methanol; dichloromethane;

DOI:10.1016/j.bmcl.2011.09.047

upstream raw materials:

4,4'-difluorobenzhydryl alcohol

4-fluorobenzaldehyde

4-flourophenylmagnesium bromide

4,4'-(oxybis(methylene))bis(fluorobenzene)

Downstream raw materials:

N-mono-(4,4'-fluorobenzhydryl)piperazine

1-(4-fluorophenyl)methyl-piperazine

4-fluoro-β-(4-fluorophenyl)-L-phenylalanine hydrochloride

C₁₅H₁₃F₂NO₂*ClH

Refernces

• 1、 Patil, Mahadev,Noonikara Poyil, Anurag,Joshi, Shrinivas D.,Patil, Shivaputra A.,Patil, Siddappa A.,Bugarin, Alejandro. "Design, synthesis, and molecular docking study of new piperazine derivative as potential antimicrobial agents". supporting information. . Retrieved 2019/09/06.
• 2、 Patil, Mahadev,Poyil, Anurag Noonikara,Joshi, Shrinivas D.,Patil, Shivaputra A.,Patil, Siddappa A.,Bugarin, Alejandro. "Synthesis, molecular docking studies, and antimicrobial evaluation of new structurally diverse ureas". supporting information. p. 302 - 311. Retrieved 2019/03/26.