2-Chloro-4-fluorobenzyl chloride

Base Information

• Chemical Name: 2-Chloro-4-fluorobenzyl chloride
• CAS No.: 93286-22-7
• Molecular Formula: C₇H₅Cl₂F
• Molecular Weight: 179.021
• Hs Code.: 29039990
• European Community (EC) Number: 679-271-8
• DSSTox Substance ID: DTXSID70369353
• Nikkaji Number: J2.903.204A
• Wikidata: Q72450726
• Mol file: 93286-22-7.mol

Synonyms:2-Chloro-4-fluorobenzyl chloride;93286-22-7;2-chloro-1-(chloromethyl)-4-fluorobenzene;BENZENE, 2-CHLORO-1-(CHLOROMETHYL)-4-FLUORO-;2-Chloro-4-fluorobenzylchloride;2-Chloro-4-Fluorochlorobenzyl;2-chloro-1-(chloromethyl)-4-fluoro-benzene;SCHEMBL531667;DTXSID70369353;HMIAXVWVTBIGON-UHFFFAOYSA-N;MFCD00236026;STL197884;AKOS000400729;2,4,6-TRIMETHYLDIPHENYLSULFIDE;AM62194;PS-10670;C1998;CS-0179770;FT-0611766;2-Chloro-4-fluorobenzyl chloride, AldrichCPR;EN300-18254;A24156

Chemical Property of 2-Chloro-4-fluorobenzyl chloride

Chemical Property:

• Appearance/Colour: clear colourless to slightly yellow liquid
• Vapor Pressure: 0.239mmHg at 25°C
• Melting Point: 7ºC
• Refractive Index: 1.534
• Boiling Point: 213.5 °C at 760 mmHg
• Flash Point: 88.1 °C
• PSA: 0.00000
• Density: 1.343 g/cm³
• LogP: 3.21790
• Sensitive.: Lachrymatory
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 177.9752337
• Heavy Atom Count: 10
• Complexity: 108

Purity/Quality:

98% ^*data from raw suppliers

2-Chloro-4-fluorobenzyl Chloride ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1F)Cl)CCl
• Uses: 2-Chloro-4-fluorobenzyl chloride is used as a pharmaceutical intermediate.

Technology Process of 2-Chloro-4-fluorobenzyl chloride

There total 1 articles about 2-Chloro-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: 91.3%

2-chloro-4-fluorotoluene (452-73-3) → 2‐chloro‐4‐fluorobenzyl chloride (93286-22-7)

Guidance literature:

With chlorine; at 60 - 70 ℃; Temperature; UV-irradiation; Flow reactor;

Reference yield:

2‐chloro‐4‐fluorobenzyl chloride (93286-22-7) → 6-((3-((2-chloro-4-fluorobenzyl)oxy)azetidin-1-yl)carbonyl)-7-fluoro-2H-1,4-benzoxazin-3(4H)-one

Guidance literature:

Multi-step reaction with 3 steps

1.1: sodium hydride / mineral oil; N,N-dimethyl-formamide / 0.17 h / 0 - 35 °C

1.2: 60 °C

2.1: ethyl acetate / 1.5 h / Reflux

3.1: triethylamine; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride / N,N-dimethyl-formamide / 5 h / 10 - 35 °C

With sodium hydride; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine; In ethyl acetate; N,N-dimethyl-formamide; mineral oil;

Reference yield:

2‐chloro‐4‐fluorobenzyl chloride (93286-22-7) → 3-((2-chloro-4-fluorobenzyl)oxy)azetidine tosylate

Guidance literature:

Multi-step reaction with 2 steps

1.1: sodium hydride / mineral oil; N,N-dimethyl-formamide / 0.17 h / 0 - 35 °C

1.2: 60 °C

2.1: ethyl acetate / 1.5 h / Reflux

With sodium hydride; In ethyl acetate; N,N-dimethyl-formamide; mineral oil;

upstream raw materials:

2-chloro-4-fluorotoluene

Refernces