3-Fluorobenzyl chloride

Base Information

• Chemical Name: 3-Fluorobenzyl chloride
• CAS No.: 456-42-8
• Molecular Formula: C7H6ClF
• Molecular Weight: 144.576
• Hs Code.: 29036990
• European Community (EC) Number: 207-264-8,925-883-8
• NSC Number: 60720
• DSSTox Substance ID: DTXSID4060026
• Nikkaji Number: J59K
• Wikidata: Q72479312
• Mol file: 456-42-8.mol

Synonyms:3-Fluorobenzyl chloride;456-42-8;1-(Chloromethyl)-3-fluorobenzene;M-FLUOROBENZYL CHLORIDE;Benzene, 1-(chloromethyl)-3-fluoro-;3-Fluorobenzylchloride;alpha-Chloro-3-fluorotoluene;alpha-Chloro-m-fluorotoluene;1-Chloromethyl-3-fluoro-benzene;fluorobenzyl-3 chloride;Toluene, .alpha.-chloro-m-fluoro-;.alpha.-Chloro-m-fluorotoluene;.alpha.-Chloro-3-fluorotoluene;EINECS 207-264-8;NSC 60720;3-flurobenzylchloride;m-fluorobenzylchloride;3-flourobenzyl chloride;m-fluoro-benzyl chloride;3-fluoro-benzyl chloride;SCHEMBL70652;3-Fluorophenylmethyl chloride;1-Chloromethyl-3-fluorobenzene;3-Fluorobenzyl chloride, 96%;DTXSID4060026;Toluene, alpha-chloro-m-fluoro-;CS-D0813;NSC60720;MFCD00000904;NSC-60720;STL195659;AKOS000120643;AM81465;AC-26193;F0210;FT-0615725;EN300-18208;A22404;W-106121;F2190-0252

Chemical Property of 3-Fluorobenzyl chloride

Chemical Property:

• Appearance/Colour: Colorless to light yellow liquid
• Melting Point: 34.5-36 °C
• Refractive Index: n20/D 1.511(lit.)
• Boiling Point: 173.3 °C at 760 mmHg
• Flash Point: 58.9 °C
• PSA: 0.00000
• Density: 1.191 g/cm³
• LogP: 2.56450
• Storage Temp.: Store below +30°C.
• Sensitive.: Lachrymatory
• Solubility.: 40g/l
• Water Solubility.: 40 g/L (20 ºC)
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 144.0142060
• Heavy Atom Count: 9
• Complexity: 85

Purity/Quality:

99% ^*data from raw suppliers

3-Fluorobenzyl Chloride ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Halogenated Monoaromatics
• Canonical SMILES: C1=CC(=CC(=C1)F)CCl

Technology Process of 3-Fluorobenzyl chloride

There total 14 articles about 3-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: 35.0%

m-Fluorotoluene (352-70-5) → m-fluorobenzyl chloride (456-42-8)

Guidance literature:

With methanol; tetrachloromethane; iron(II) chloride tetrahydrate; formamide; at 180 ℃; for 6h; Reagent/catalyst; chemoselective reaction; Inert atmosphere; Sealed tube; Autoclave;

DOI:10.1016/j.jfluchem.2019.109346

Reference yield:

→ m-fluorobenzyl chloride (456-42-8)

Guidance literature:

With chlorine;

DOI:10.1021/ja01160a113

Reference yield:

m-fluorobenzyl ion (65108-06-7) → m-fluorobenzyl chloride (456-42-8)

Guidance literature:

With tertiary butyl chloride; In gaseous matrix; at 600 ℃; chloride affinity;

DOI:10.1021/ja00299a001

upstream raw materials:

m-Fluorotoluene

3-fluoro-benzenemethanol

1-fluoro-3-(iodomethyl)benzene

m-fluorobenzyl ion

Downstream raw materials:

(2-bromo-4-methyl-phenyl)-(3-fluoro-benzyl)-ether

(4-bromo-2-methyl-phenyl)-(3-fluoro-benzyl)-ether

(4-chloro-phenyl)-(3-fluoro-benzyl)-ether

1-benzyl-3-fluorobenzene

Refernces

• 1、 Mishima, Masaaki,Inoue, Hiroki,Fujio, Mizue,Tsuno, Yuho. "Gas-phase substituent effects in highly electron-deficient systems. II. stabilities of 1-aryl-2,2,2-trifluoroethyl cations based on chloride-transfer equilibria". . p. 1163 - 1169. Retrieved 2007/10/03.
• 2、 -. "STEROID RECEPTOR MODULATOR COMPOUNDS AND METHODS". . . Retrieved 2008/06/13.