4-Fluorobenzyl chloride

Base Information

• Chemical Name: 4-Fluorobenzyl chloride
• CAS No.: 352-11-4
• Molecular Formula: C7H6ClF
• Molecular Weight: 144.576
• Hs Code.: 29036990
• European Community (EC) Number: 206-516-4
• NSC Number: 25084
• DSSTox Substance ID: DTXSID7059850
• Nikkaji Number: J36A
• Wikidata: Q69999980
• Mol file: 352-11-4.mol

Synonyms:4-fluorobenzyl chloride;4FBCl cpd

Chemical Property of 4-Fluorobenzyl chloride

Chemical Property:

• Appearance/Colour: clear colorless to slightly yellow liquid
• Vapor Pressure: 37.2mmHg at 25°C
• Melting Point: -18 °C
• Refractive Index: n20/D 1.513(lit.)
• Boiling Point: 181.6 °C at 760 mmHg
• Flash Point: 64 °C
• PSA: 0.00000
• Density: 1.191 g/cm³
• LogP: 2.56450
• Storage Temp.: Store below +30°C.
• Sensitive.: Lachrymatory
• Solubility.: Chloroform (Slightly), Hexanes (Slightly)
• Water Solubility.: 417mg/L(temperature not stated)
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 144.0142060
• Heavy Atom Count: 9
• Complexity: 77

Purity/Quality:

99% ^*data from raw suppliers

p-FluorobenzylChloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 34-22
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Halogenated Monoaromatics
• Canonical SMILES: C1=CC(=CC=C1CCl)F
• Uses: p-Fluorobenzyl Chloride is a chemical intermediate in the synthesis of various pharmaceutical and agricultural goods.

Technology Process of 4-Fluorobenzyl chloride

There total 16 articles about 4-Fluorobenzyl chloride 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: 95.0%

p-fluorotoluene (352-32-9) → 1-chloromethyl-4-fluorobenzene (352-11-4)

Guidance literature:

With hydrogenchloride; potassium chloride; tetrabutyl-ammonium chloride; In water; at 20 ℃; Irradiation; Green chemistry;

DOI:10.1039/c8gc02628a

Reference yield: 84.0%

4-fluorobenzylic alcohol (459-56-3) → 1-chloromethyl-4-fluorobenzene (352-11-4)

Guidance literature:

With 4-fluorobenzoyl chloride; N,N-dimethyl-formamide; In dichloromethane; at 20 ℃; for 12h;

DOI:10.1002/anie.201604921

Reference yield: 65.0%

fluorobenzene (462-06-6) → 1-chloromethyl-4-fluorobenzene (352-11-4)

Guidance literature:

upstream raw materials:

formaldehyd

fluorobenzene

p-fluorotoluene

4-fluorobenzylic alcohol

Downstream raw materials:

para-fluorobenzylamine

1,1'-di(p-fluorobenzyl)-3,3',5,5'-tetramethyl-4,4'-bispyrazole

N-(1,1-Dimethylethyl)-3-[2-(4-Fluorophenyl)-Ethyl]-2-Pyridine Carboxamide

1-(4-fluorophenyl)butan-2-one

Refernces

• 1、 Seth-Paul,Shino. "-". . p. 1605. Retrieved 1975.
• 2、 -. "Hydrogen Bond Directed Photocatalytic Hydrodefluorination and Methods of Use Thereof". Paragraph 0203. . Retrieved 2021/01/22.
• 3、 Bayguzina, Alfiya R.,Gallyamova, Leysan I.,Khalilov, Leonard M.,Khusnutdinov, Ravil I.. "Synthesis of mono- and difluorobenzyl chlorides by chlorination of mono- and difluorotoluenes with CCl4 and t-BuOCl induced by iron-containing catalysts". supporting information. . Retrieved 2019/07/19.