2-(Chloromethyl)-1,3,4-trifluorobenzene

Base Information

• Chemical Name: 2-(Chloromethyl)-1,3,4-trifluorobenzene
• CAS No.: 114152-20-4
• Molecular Formula: C₇H₄ClF₃
• Molecular Weight: 180.557
• Hs Code.: 2903999090
• European Community (EC) Number: 872-569-0
• DSSTox Substance ID: DTXSID00576033
• Wikidata: Q82465544
• Mol file: 114152-20-4.mol

Synonyms:114152-20-4;2-(Chloromethyl)-1,3,4-trifluorobenzene;2,3,6-TRIFLUOROBENZYL CHLORIDE;Benzene, 2-(chloromethyl)-1,3,4-trifluoro-;SCHEMBL10472581;DTXSID00576033;XQVJZIBCIQHUKU-UHFFFAOYSA-N;AC8969;MFCD01863175;AKOS006230118;SY263568;EN300-1966658

Chemical Property of 2-(Chloromethyl)-1,3,4-trifluorobenzene

Chemical Property:

• Vapor Pressure: 2.03mmHg at 25°C
• Refractive Index: 1.466
• Boiling Point: 169.6°C at 760 mmHg
• Flash Point: 60.6°C
• PSA: 0.00000
• Density: 1.391g/cm³
• LogP: 2.84270
• Storage Temp.: 2-8°C
• 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: 131

Purity/Quality:

98%min ^*data from raw suppliers

2-(Chloromethyl)-1,3,4-trifluorobenzene 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-(Chloromethyl)-1,3,4-trifluorobenzene

There total 2 articles about 2-(Chloromethyl)-1,3,4-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:

2,3,6-trifluorobenzyl alcohol (114152-19-1) → 2,3,6-trifluorobenzyl chloride (114152-20-4)

Guidance literature:

With thionyl chloride; triethylamine; In dichloromethane;

Reference yield:

2,3,6-trifluorobenzoic acid (2358-29-4) → 2,3,6-trifluorobenzyl chloride (114152-20-4)

Guidance literature:

Multi-step reaction with 2 steps

1: tetrahydrofuran

2: thionyl chloride; triethylamine / dichloromethane

With thionyl chloride; triethylamine; In tetrahydrofuran; dichloromethane;

Reference yield:

2,3,6-trifluorobenzyl chloride (114152-20-4) → 2-(2,3,6-trifluorophenyl)acetic acid (114152-23-7)

Guidance literature:

Multi-step reaction with 3 steps

1: water

2: sulfuric acid / ethanol

3: hydrogenchloride; sodium hydroxide / ethanol

With hydrogenchloride; sodium hydroxide; sulfuric acid; In ethanol; water;

upstream raw materials:

2,3,6-trifluorobenzyl alcohol

2,3,6-trifluorobenzoic acid

Downstream raw materials:

2-(2,3,6-trifluorophenyl)acetic acid

Refernces

• 1、 -. "1-Cyclopropyl-6-fluoro-7-piperazinyl-1,4-Dihydro-4-oxo-quinoline-3-carboxylic acid derivatives". . . Retrieved 2008/06/13.