Benzyl fluoride

Base Information

• Chemical Name: Benzyl fluoride
• CAS No.: 350-50-5
• Molecular Formula: C7H7F
• Molecular Weight: 110.131
• Hs Code.: 2903999090
• European Community (EC) Number: 206-503-3
• UNII: T7KNE39EHS
• DSSTox Substance ID: DTXSID8059847
• Nikkaji Number: J91.333B
• Wikipedia: Benzyl_fluoride
• Wikidata: Q420963
• Mol file: 350-50-5.mol

Synonyms:BENZYL FLUORIDE;350-50-5;(Fluoromethyl)benzene;fluoromethylbenzene;BENZYLFLUORIDE;Benzene, (fluoromethyl)-;alpha-Fluorotoluene;T7KNE39EHS;Toluene, .alpha.-fluoro-;EINECS 206-503-3;.alpha.-Fluorotoluene;1-(Fluoromethyl)benzene;UNII-T7KNE39EHS;TOLUENE,ALPHA-FLUORO;Toluene, .alpha.-fluoro-,;SCHEMBL55322;DTXSID8059847;MFCD00013579;AKOS005063489;CS-0304893;FT-0622821;EN300-1177750;A822510;Q420963

Chemical Property of Benzyl fluoride

Chemical Property:

• Vapor Pressure: 0.00018mmHg at 25°C
• Melting Point: -35°C
• Refractive Index: 1.4890
• Boiling Point: 136.8 °C at 760 mmHg
• Flash Point: 17.4 °C
• PSA: 0.00000
• Density: 0.99 g/cm³
• LogP: 2.15610
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 110.053178385
• Heavy Atom Count: 8
• Complexity: 55.4

Purity/Quality:

99% ^*data from raw suppliers

(Fluoromethyl)benzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CF
• Uses: Organic synthesis. (Fluoromethyl)benzene is a compound used in the preparation of fluoro amino, fluoro enamino fluorination reagents and other organic fluorinating agents.

Technology Process of Benzyl fluoride

There total 87 articles about Benzyl fluoride 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: 97.0%

benzyl chloride (100-44-7) → benzyl fluoride (350-50-5)

Guidance literature:

With potassium fluoride; Et₃NBn⁽¹⁺⁾Cl^(1-); In water; at 200 ℃; for 1.5h; under 6000.6 Torr; Autoclave;

DOI:10.1002/chem.201303638

Reference yield: 96.0%

benzyl alcohol (100-51-6,185532-71-2) → benzyl fluoride (350-50-5)

Guidance literature:

With (bis-(2-methoxyethyl)amino)sulfur trufluoride; In dichloromethane; at -78 ℃; for 3h;

DOI:10.1021/jo990566+

Reference yield: 96.0%

benzyl bromide (100-39-0) → benzyl fluoride (350-50-5)

Guidance literature:

With KF-Al₂O₃(SiN); In sulfolane; at 120 ℃; for 2h; other reagents;

upstream raw materials:

phenyldiazomethane

benzyl bromide

benzyl chloride

fluoromethyl alcohol

Downstream raw materials:

p-benzylanizole

o-benzyl anisole

1,1'-(1,2-ethanediyl)bisbenzene

benzyl alcohol

Refernces

• 1、 Mirabdolbaghi, Roya,Dudding, Travis,Stamatatos, Theocharis. "A class of phase-transfer catalyst with interionic strain: Insight into the bonding of disubstituted N-vs carbene-stabilized NI-centered cations". . p. 2790 - 2793. Retrieved 2014.
• 2、 Dalvit, Claudio,Invernizzi, Christian,Vulpetti, Anna. "Fluorine as a hydrogen-bond acceptor: Experimental evidence and computational calculations". . p. 11058 - 11068. Retrieved 2014.
• 3、 Liu, Hanfan,Wang, Ping,Sun, Pengnian. "Polymer-Supported Potassium Fluoride - A Versatile Fluorination Reagent". . p. 429 - 434. Retrieved 1989.
• 4、 Zhao, Haiyan,Gabbai, Francois P.. "Nucleophilic fluorination reactions starting from aqueous fluoride ion solutions". . p. 1444 - 1446. Retrieved 2011.
• 5、 Sun, Haoran,DiMagno, Stephen G.. "Anhydrous tetrabutylammonium fluoride". . p. 2050 - 2051. Retrieved 2005.
• 6、 Das, Saibal,Chandrasekhar, Srivari,Yadav, Jhillu Singh,Grée, René. "Ionic liquids as recyclable solvents for diethylaminosulfur trifluoride (DAST) mediated fluorination of alcohols and carbonyl compounds". . p. 5305 - 5307. Retrieved 2007.
• 7、 Ma?kosza, Mieczys?aw,Bujok, Robert. "A new type of phase-transfer catalysis via continuous transfer of fluoride anions to the organic phase in the form of potassium difluorotriphenylstannate". . p. 1385 - 1386. Retrieved 2004.
• 8、 Clark, James H.,Macquarrie, Duncan J.. "THE SYNTHESIS OF ORGANOFLUORINE COMPOUNDS USING POTASSIUM FLUORIDE-TETRAPHENYLPHOSPHONIUM BROMIDE SYSTEMS.". . p. 111 - 114. Retrieved 1987.
• 9、 Koroniak, Henryk,Walkowiak, Justyna,Grys, Krzysztof,Rajchel, Andrzej,Alty, Adam,Du Boisson, Rick. "1,1,3,3,3-Pentafluoropropene secondary amine adducts new selective fluorinating agents". . p. 1245 - 1251. Retrieved 2006.
• 10、 -. "METHOD AND REAGENT FOR DEOXYFLUORINATION". Paragraph 0148-0150; 0152; 0160. . Retrieved 2021/05/29.