1-(Chloromethyl)-3-(trifluoromethyl)benzene

Base Information

• Chemical Name: 1-(Chloromethyl)-3-(trifluoromethyl)benzene
• CAS No.: 705-29-3
• Molecular Formula: C8H6ClF3
• Molecular Weight: 194.584
• Hs Code.: 29036990
• European Community (EC) Number: 211-884-4
• NSC Number: 5227
• UNII: XG8S4F46BH
• DSSTox Substance ID: DTXSID0061036
• Nikkaji Number: J92B
• Wikidata: Q72453770
• Mol file: 705-29-3.mol

Synonyms:3-trifluoromethylbenzyl chloride;m-trifluoromethylbenzyl chloride

Chemical Property of 1-(Chloromethyl)-3-(trifluoromethyl)benzene

Chemical Property:

• Appearance/Colour: colorless to light yellow liquid
• Melting Point: 32-36 °C
• Refractive Index: n20/D 1.464(lit.)
• Boiling Point: 179.1 °C at 760 mmHg
• Flash Point: 48.9 °C
• PSA: 0.00000
• Density: 1.291 g/cm³
• LogP: 3.44420
• Storage Temp.: Flammables area
• Sensitive.: Lachrymatory
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 194.0110124
• Heavy Atom Count: 12
• Complexity: 144

Purity/Quality:

90% 99% ^*data from raw suppliers

3-(Trifluoromethyl)benzyl Chloride >95.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 10-34
• Safety Statements: 16-26-36/37/39-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

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

Technology Process of 1-(Chloromethyl)-3-(trifluoromethyl)benzene

There total 7 articles about 1-(Chloromethyl)-3-(trifluoromethyl)benzene 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: 85.6%

1,3,5-Trioxan (110-88-3) + α,α,α-trifluorotoluene (98-08-8) → 3-Trifluoromethylbenzyl chloride (705-29-3)

Guidance literature:

With chlorosulfonic acid; sulfuric acid; cetyltrimethylammonim bromide; at 50 ℃; for 0.05h;

Reference yield:

α,α,α-trifluorotoluene (98-08-8) → 3-Trifluoromethylbenzyl chloride (705-29-3)

Guidance literature:

With chlorosulfonic acid; sulfuric acid; In water; at 20 - 30 ℃; for 15h; Large scale;

Reference yield:

3-(trifluoromethyl)benzyl alcohol (349-75-7) → 3-Trifluoromethylbenzyl chloride (705-29-3)

Guidance literature:

With thionyl chloride;

DOI:10.1002/hlca.19710540312 DOI:10.1021/jo00425a023

upstream raw materials:

3-(trifluoromethyl)benzyl alcohol

3-Trifluoromethylbenzaldehyde

3-(trifluoromethyl)benzoic acid

1,3,5-Trioxan

Downstream raw materials:

1-(but-3-en-1-yl)-3-(trifluoromethyl)benzene

1-(3-Trifluoromethyl-benzyl)-pyrrolidine

N-[3-(trifluoromethyl)benzyl]piperazine

1,4-Bis-(3-trifluoromethyl-benzyl)-piperazine

Refernces

• 1、 -. "Synthesis method of 1-phenyl-3-(3-trifluoromethylphenyl)-2-acetone". Paragraph 0005; 0010; 0011-0013. . Retrieved 2021/11/21.
• 2、 Borukhova, Svetlana,Nol, Timothy,Hessel, Volker. "Continuous-Flow Multistep Synthesis of Cinnarizine, Cyclizine, and a Buclizine Derivative from Bulk Alcohols". . p. 67 - 74. Retrieved 2016/01/16.