4-(Trifluoromethoxy)benzyl Chloride

Base Information

• Chemical Name: 4-(Trifluoromethoxy)benzyl Chloride
• CAS No.: 65796-00-1
• Molecular Formula: C8H6ClF3O
• Molecular Weight: 210.583
• Hs Code.: 2909309090
• European Community (EC) Number: 642-554-1
• DSSTox Substance ID: DTXSID40380439
• Wikidata: Q72511363
• Mol file: 65796-00-1.mol

Synonyms:4-(Trifluoromethoxy)benzyl Chloride;65796-00-1;1-(Chloromethyl)-4-(trifluoromethoxy)benzene;4-(trifluoromethoxy)benzylchloride;Benzene, 1-(chloromethyl)-4-(trifluoromethoxy)-;MFCD00052326;alpha-Chloro-4-(trifluoromethoxy)toluene;SCHEMBL1008825;4-triflouromethoxybenzyl chloride;4-trifluoromethoxybenzyl chloride;DTXSID40380439;STL145783;AKOS000262290;AM62174;CS-W002250;4-chloromethyl-1-trifluoromethoxybenzene;PS-10648;1-(chloromethyl)-4-trifluoromethoxybenzene;1-(chloromethyl)4-(trifluoromethoxy)benzene;A8907;FT-0616887;T2453

Chemical Property of 4-(Trifluoromethoxy)benzyl Chloride

Chemical Property:

• Appearance/Colour: Colorless to light yellow liquid
• Vapor Pressure: 0.693mmHg at 25°C
• Refractive Index: 1.415
• Boiling Point: 189.8 °C at 760 mmHg
• Flash Point: 68.6 °C
• PSA: 9.23000
• Density: 1.336 g/cm³
• LogP: 3.32400
• Storage Temp.: Refrigerator
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 210.0059270
• Heavy Atom Count: 13
• Complexity: 152

Purity/Quality:

99% ^*data from raw suppliers

4-(Trifluoromethoxy)benzyl Chloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 34
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1CCl)OC(F)(F)F

Technology Process of 4-(Trifluoromethoxy)benzyl Chloride

There total 4 articles about 4-(Trifluoromethoxy)benzyl 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: 65.0%

1-trifluoromethoxybenzene (456-55-3) → 1-(chloromethyl)-4-(trifluoromethoxy)benzene (65796-00-1)

Guidance literature:

With hydrogenchloride; sodium hydrogencarbonate; paraformaldehyde; In methanol; tert-butyl methyl ether; water;

Reference yield:

4-trifluoromethoxybenzyl alcohol (1736-74-9) → 1-(chloromethyl)-4-(trifluoromethoxy)benzene (65796-00-1)

Guidance literature:

Reference yield:

4-trifluoromethoxybenzoic acid (330-12-1) → 1-(chloromethyl)-4-(trifluoromethoxy)benzene (65796-00-1)

Guidance literature:

Multistep reaction; (i) LiAlH₄, (ii) SOCl₂;

DOI:10.1021/jm00299a007

upstream raw materials:

4-trifluoromethoxybenzoic acid

1-trifluoromethoxybenzene

4-trifluoromethoxybenzyl alcohol

Downstream raw materials:

diethyl (4-(trifluoromethoxy)benzyl)malonate

1-[[(4-methylphenyl)thio]methyl]-4-(trifluoromethoxy)benzene

1-(4-trifluoromethoxy-benzyl)-piperidine-4-carboxylic acid amide

methyl-{4-[5-oxo-1-(4-trifluoromethoxy-benzyl)-1,5-dihydro-[1,2,4]triazol-4-yl]-benzyl}-carbamic acid tert-butyl ester