Bis(4-fluorophenyl)methane

Base Information

• Chemical Name: Bis(4-fluorophenyl)methane
• CAS No.: 457-68-1
• Molecular Formula: C13H10F2
• Molecular Weight: 204.219
• Hs Code.: 29036990
• European Community (EC) Number: 207-274-2
• NSC Number: 51803
• UNII: 40KCF8K7O2
• DSSTox Substance ID: DTXSID10196600
• Nikkaji Number: J196.168C
• Wikidata: Q72462897
• Mol file: 457-68-1.mol

Synonyms:Bis(4-fluorophenyl)methane;457-68-1;4,4'-Difluorodiphenylmethane;1-fluoro-4-[(4-fluorophenyl)methyl]benzene;1,1'-Methylenebis(4-fluorobenzene);Benzene, 1,1'-methylenebis[4-fluoro-;C13H10F2;40KCF8K7O2;EINECS 207-274-2;NSC-51803;Benzene, 1,1'-methylenebis(4-fluoro-;EC 207-274-2;1,1'-methylenebis[4-fluorobenzene];NSC51803;1-benzyl-4-fluoro-benzene;UNII-40KCF8K7O2;4,4\'-Difluorodiphenylmethane;SCHEMBL1468357;BIS(P-FLUOROPHENYL)METHANE;DTXSID10196600;1,1-methylenebis[4-fluorobenzene];1-Fluoro-4-(4-fluorobenzyl)benzene;MFCD00000360;NSC 51803;AKOS015905380;PS-8133;1-Fluoro-4-(4-fluorobenzyl)benzene #;AC-17047;CS-0313183;D1925;FT-0617051;D89945;A826892

Chemical Property of Bis(4-fluorophenyl)methane

Chemical Property:

• Appearance/Colour: clear colorless to yellowish liquid after melting
• Vapor Pressure: 0.933Pa at 50℃
• Melting Point: 29-30 °C(lit.)
• Refractive Index: n20/D 1.536(lit.)
• Boiling Point: 260.1 °C at 760 mmHg
• Flash Point: 95.7 °C
• PSA: 0.00000
• Density: 1.145 g/cm³
• LogP: 3.55560
• Water Solubility.: Insoluble in water.
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 204.07505664
• Heavy Atom Count: 15
• Complexity: 157

Purity/Quality:

99.9% ^*data from raw suppliers

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

Safty Information:

• Pictogram(s): Xi,Xn
• Hazard Codes: Xn,Xi
• Statements: 21/22
• Safety Statements: 28A-24/25

MSDS Files:

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=CC=C1CC2=CC=C(C=C2)F)F
• Uses: It is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuff.

Technology Process of Bis(4-fluorophenyl)methane

There total 26 articles about Bis(4-fluorophenyl)methane 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: 98.0%

4,4'-difluorobenzhydryl alcohol (365-24-2) → 4,4'-difluorodiphenylmethane (457-68-1)

Guidance literature:

With chloro-trimethyl-silane; sodium iodide; In acetonitrile; at 20 ℃; for 4h;

DOI:10.1039/b102495g

Reference yield: 95.0%

4,4'-diamino diphenyl methane (101-77-9) → 4,4'-difluorodiphenylmethane (457-68-1)

Guidance literature:

With pyridine hydrogenfluoride; sodium nitrite; 1.) O deg C, 20 min, 2.) 100 deg C, 1 h;

DOI:10.1016/0040-4020(95)00867-8

Reference yield: 95.0%

2,2-bis(4-fluorophenyl)-1,3-dithiane → 4,4'-difluorodiphenylmethane (457-68-1)

Guidance literature:

2,2-bis(4-fluorophenyl)-1,3-dithiane; With chloro-trimethyl-silane; sodium iodide; In dichloromethane; at 20 ℃; Inert atmosphere; Green chemistry;

With water; In dichloromethane; at 20 ℃; Inert atmosphere; Green chemistry;

DOI:10.1002/adsc.201800437

upstream raw materials:

fluorobenzene

benzophenone

4,4'-difluorobenzhydryl alcohol

1-chloromethyl-4-fluorobenzene

Downstream raw materials:

2-(bis-(4-fluorophenyl)methyl)-1,3-diphenylpropane-1,3-dione

N-[bis(4-fluorophenyl)methyl]-4-nitroaniline

bis(4-fluorophenyl)methanamine

4,4'-difluorobenzhydryl alcohol

Refernces

• 1、 Xu, Tao,Xu, Wenhao,Zheng, Purui. "Dual Nickel- And Photoredox-Catalyzed Reductive Cross-Coupling of Aryl Halides with Dichloromethane via a Radical Process". supporting information. . Retrieved 2020/11/13.
• 2、 Nozawa-Kumada, Kanako,Ito, Shungo,Noguchi, Koto,Shigeno, Masanori,Kondo, Yoshinori. "Super electron donor-mediated reductive desulfurization reactions". . p. 12968 - 12971. Retrieved 2019/11/05.