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

Base Information

• Chemical Name: 2-Chloro-4-(chloromethyl)-1-fluorobenzene
• CAS No.: 2994-69-6
• Molecular Formula: C7H5Cl2F
• Molecular Weight: 179.021
• Hs Code.: 2903998090
• DSSTox Substance ID: DTXSID90511014
• Wikidata: Q72450731
• Mol file: 2994-69-6.mol

Synonyms:2-chloro-4-(chloromethyl)-1-fluorobenzene;2994-69-6;3-Chloro-4-fluorobenzyl chloride;MFCD03701044;Trethocanicacid;SCHEMBL1503218;DTXSID90511014;CK1007;AKOS015995314;AM83195;PS-10669;SY211233;EN300-313203

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

Chemical Property:

• Vapor Pressure: 0.156mmHg at 25°C
• Refractive Index: 1.525
• Boiling Point: 221.8 °C at 760 mmHg
• Flash Point: 92.7 °C
• PSA: 0.00000
• Density: 1.343 g/cm³
• LogP: 3.21790
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 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

3-Chloro-4-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=C1CCl)Cl)F

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

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

bis(2-chloromethyl)ether (542-88-1) + 1-chloro-2-fluorobenzene (348-51-6) → 2-chloro-4-(chloromethyl)-1-fluorobenzene (2994-69-6)

Guidance literature:

With sulfuric acid; acetic anhydride; acetic acid;

DOI:10.1021/jo01351a050

Reference yield: 100.0%

2-chloro-4-(chloromethyl)-1-fluorobenzene (2994-69-6) + (S)-2-(2-chloropyrimidin-4-yl)-6-methyl-6,7-dihydroimidazo[1,2-a]pyrazin-8(5H)-one → (S)-7-(3-chloro-4-fluorobenzyl)-2-(2-chloropyrimidin-4-yl)-6-methyl-6,7-dihydroimidazo[1,2-a]pyrazin-8(5H)-one

Guidance literature:

(S)-2-(2-chloropyrimidin-4-yl)-6-methyl-6,7-dihydroimidazo[1,2-a]pyrazin-8(5H)-one; With sodium hydride; In N,N-dimethyl-formamide; mineral oil; at 20 ℃; for 0.5h; Inert atmosphere;

2-chloro-4-(chloromethyl)-1-fluorobenzene; With tetra-(n-butyl)ammonium iodide; In N,N-dimethyl-formamide; mineral oil; at 20 ℃; for 18h;

Reference yield: 87.0%

2-chloro-4-(chloromethyl)-1-fluorobenzene (2994-69-6) + tert-butyl (5RS,8RS)-8-methyl-3-oxo-2,3,5,6,7,8-hexahydro[1,2,4]triazolo[4,3-a]pyridine-5-carboxylate → tert-butyl (5RS,8RS)-2-(3-chloro-4-fluorobenzyl)-8-methyl-3-oxo-2,3,5,6,7,8-hexahydro[1,2,4]triazolo[4,3-a]pyridine-5-Carboxylate

Guidance literature:

With caesium carbonate; In acetonitrile;

upstream raw materials:

bis(2-chloromethyl)ether

1-chloro-2-fluorobenzene

Downstream raw materials:

2-(3-chloro-4-fluorophenyl)acetonitrile

2-(3-chloro-4-fluorophenyl)acetic acid

3-Hydroxy-2-<4-fluor-3-chlor-phenyl>-crotonsaeure-nitril

C₇H₅Cl₂FO₂S