4-Chloro-1-(chloromethyl)-2-fluorobenzene

Base Information

• Chemical Name: 4-Chloro-1-(chloromethyl)-2-fluorobenzene
• CAS No.: 87417-71-8
• Molecular Formula: C₇H₅Cl₂F
• Molecular Weight: 179.021
• Hs Code.: 2903999090
• DSSTox Substance ID: DTXSID20564952
• Wikidata: Q72450723
• Mol file: 87417-71-8.mol

Synonyms:87417-71-8;4-chloro-1-(chloromethyl)-2-fluorobenzene;4-CHLORO-2-FLUOROBENZYL CHLORIDE;MFCD03412453;2-Fluoro-4-chlorobenzyl chloride;Benzene, 4-chloro-1-(chloromethyl)-2-fluoro-;SCHEMBL5330355;AMY6487;DTXSID20564952;CMGAVHMLDNAXBU-UHFFFAOYSA-N;4-chloro-1-(chloromethyl)-2-fluorobenzene, alpha,4-dichloro-2-fluorotoluene;AKOS009359234;4-chloro-1-chloromethyl-2-fluoro-benzene;AS-19692;SY316746;EN300-1983096;A923015;J-514873

Chemical Property of 4-Chloro-1-(chloromethyl)-2-fluorobenzene

Chemical Property:

• Boiling Point: 208.5±25.0 °C(Predicted)
• PSA: 0.00000
• Density: 1.343±0.06 g/cm3(Predicted)
• LogP: 3.21790
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• 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%,99%, ^*data from raw suppliers

4-Chloro-2-fluorobenzylChloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1Cl)F)CCl
• Uses: 4-Chloro-2-fluorobenzyl Chloride is a reagent used in the alternate synthesis of a janus kinase 2 (JAK2) inhibitor intermediate.

Technology Process of 4-Chloro-1-(chloromethyl)-2-fluorobenzene

There total 2 articles about 4-Chloro-1-(chloromethyl)-2-fluorobenzene 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: 89.1%

4-chloro-2-fluorotoluene (452-75-5) → 4-chloro-1-(chloromethyl)-2-fluorobenzene (87417-71-8)

Guidance literature:

With N-chloro-succinimide; 2,2'-azobis(isobutyronitrile); In tetrachloromethane; for 12h; Reflux;

Reference yield:

(4-chloro-2-fluorophenyl)methanol (56456-49-6) → 4-chloro-1-(chloromethyl)-2-fluorobenzene (87417-71-8)

Guidance literature:

With pyridine; thionyl chloride; In tetrahydrofuran;

Reference yield:

sodium cyanide (773837-37-9) + 4-chloro-1-(chloromethyl)-2-fluorobenzene (87417-71-8) → 2-(4-chloro-2-fluoro-phenyl)acetonitrile (75279-53-7)

Guidance literature:

In ethanol; water; at 20 ℃; for 16h; Reflux;

upstream raw materials:

(4-chloro-2-fluorophenyl)methanol

4-chloro-2-fluorotoluene

Downstream raw materials:

2-(4-chloro-2-fluoro-phenyl)acetonitrile

Refernces

• 1、 -. "Pyrimidin-4-one derivatives, their intermediates for their production and processes for producing these compounds". . . Retrieved 2008/06/13.