2-Chloro-5-trifluoromethylbenzyl chloride

Base Information

• Chemical Name: 2-Chloro-5-trifluoromethylbenzyl chloride
• CAS No.: 22902-87-0
• Molecular Formula: C8H5Cl2F3
• Molecular Weight: 229.029
• Hs Code.: 2903999090
• European Community (EC) Number: 675-116-3
• DSSTox Substance ID: DTXSID50374081
• Wikidata: Q82162562
• Mol file: 22902-87-0.mol

Synonyms:2-Chloro-5-trifluoromethylbenzyl chloride;22902-87-0;2-Chloro-5-(trifluoromethyl)benzyl chloride;1-chloro-2-(chloromethyl)-4-(trifluoromethyl)benzene;2-CHLORO-5-TRIFLUOROMETHYLBENZYLCHLORIDE;SCHEMBL5436712;DTXSID50374081;MFCD04972760;AKOS005216785;FS-3975;FT-0764881;EN300-338468;2-chloro-5-trifluoromethylbenzyl chloride, AldrichCPR

Chemical Property of 2-Chloro-5-trifluoromethylbenzyl chloride

Chemical Property:

• PSA: 0.00000
• LogP: 4.09760
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 227.9720400
• Heavy Atom Count: 13
• Complexity: 169

Purity/Quality:

99% ^*data from raw suppliers

2-CHLORO-5-TRIFLUOROMETHYLBENZYL CHLORIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1C(F)(F)F)CCl)Cl

Technology Process of 2-Chloro-5-trifluoromethylbenzyl chloride

There total 5 articles about 2-Chloro-5-trifluoromethylbenzyl 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: 99.0%

(2-chloro-5-(trifluoromethyl)phenyl)methanol (64372-62-9) → 1-chloro-2-(chloromethyl)-4-(trifluoromethyl)benzene (22902-87-0)

Guidance literature:

With thionyl chloride; In N,N-dimethyl-formamide; at 0 ℃; for 1h;

DOI:10.1002/jlcr.3073

Reference yield: 82.4%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + 4-chlorobenzotrifluoride (98-56-6) → 1-chloro-2-(chloromethyl)-4-(trifluoromethyl)benzene (22902-87-0)

Guidance literature:

With hydrogenchloride; zinc(II) chloride; at 25 - 40 ℃; for 2h; Reagent/catalyst; Concentration; Cooling with ice;

Reference yield:

2-chloro-5-(trifluoromethyl)benzaldehyde (82386-89-8) → 1-chloro-2-(chloromethyl)-4-(trifluoromethyl)benzene (22902-87-0)

Guidance literature:

Multi-step reaction with 2 steps

1: 99 percent / NaBH₄ / dioxane; H₂O / 0.5 h / 30 - 40 °C

2: 86 percent / SOCl₂ / CHCl₃; pyridine / 48 h / 10 - 20 °C

With sodium tetrahydroborate; thionyl chloride; In 1,4-dioxane; pyridine; chloroform; water;

DOI:10.1135/cccc19820967

upstream raw materials:

(2-chloro-5-(trifluoromethyl)phenyl)methanol

formaldehyd

4-chlorobenzotrifluoride

2-chloro-5-(trifluoromethyl)benzaldehyde

Downstream raw materials:

1-<2-Chlor-5-trifluormethyl-phenyl>-2-<4-methoxy-phenyl>-2-phenyl-aethylen

(2-chloro-5-(trifluoromethyl)phenyl)methanol

2-chloro-5-(trifluoromethyl)benzaldehyde