2-(Chloromethyl)-1,3,5-trifluorobenzene

Base Information

• Chemical Name: 2-(Chloromethyl)-1,3,5-trifluorobenzene
• CAS No.: 247564-62-1
• Molecular Formula: C₇H₄ClF₃
• Molecular Weight: 180.557
• NSC Number: 10306
• DSSTox Substance ID: DTXSID60278844
• Wikidata: Q82011007
• Mol file: 247564-62-1.mol

Synonyms:247564-62-1;2-(chloromethyl)-1,3,5-trifluorobenzene;2,4,6-Trifluorobenzylchloride;2,4,6-Trifluorobenzyl chloride;Benzene, 2-(chloromethyl)-1,3,5-trifluoro-;NSC10306;SCHEMBL2076815;DTXSID60278844;NSC-10306;FT-0609869;EN300-1984113

Chemical Property of 2-(Chloromethyl)-1,3,5-trifluorobenzene

Chemical Property:

• Vapor Pressure: 2.76mmHg at 25°C
• Refractive Index: 1.466
• Boiling Point: 162.9 °C at 760 mmHg
• Flash Point: 57 °C
• PSA: 0.00000
• Density: 1.391 g/cm³
• LogP: 2.84270
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 179.9953623
• Heavy Atom Count: 11
• Complexity: 119

Purity/Quality:

99% ^*data from raw suppliers

2,4,6-TRIFLUOROBENZYLCHLORIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C(=C1F)CCl)F)F

Technology Process of 2-(Chloromethyl)-1,3,5-trifluorobenzene

There total 4 articles about 2-(Chloromethyl)-1,3,5-trifluorobenzene 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: 91.4%

2,4,6-trifluorophenylmethyl alcohol (118289-07-9) → 2,4,6-trifluorobenzyl chloride (247564-62-1)

Guidance literature:

With pyridine; thionyl chloride; In tetrahydrofuran; at 20 - 30 ℃; for 1.5h; Solvent;

Reference yield: 77.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + 1,3,5-trifluorobenzene (372-38-3) → 2,4,6-trifluorobenzyl chloride (247564-62-1)

Guidance literature:

With hydrogenchloride; sulfuric acid; acetic acid; zinc(II) chloride; at 50 ℃; for 16h; Temperature; Large scale;

Reference yield:

1,3,5-trifluorobenzene (372-38-3) → 2,4,6-trifluorobenzyl chloride (247564-62-1)

Guidance literature:

Multi-step reaction with 3 steps

1: N,N-dimethyl-formamide; n-butyllithium / tetrahydrofuran / 6.5 h / -60 - -30 °C

2: potassium borohydride / tetrahydrofuran / 30 - 35 °C

3: pyridine; thionyl chloride / tetrahydrofuran / 1.5 h / 20 - 30 °C

With pyridine; n-butyllithium; thionyl chloride; potassium borohydride; N,N-dimethyl-formamide; In tetrahydrofuran;

upstream raw materials:

1,3,5-trifluorobenzene

2,4,6-trifluorobenzaldehyde

2,4,6-trifluorophenylmethyl alcohol

formaldehyd