2-Fluoro-4-(trifluoromethyl)benzyl alcohol

Base Information

• Chemical Name: 2-Fluoro-4-(trifluoromethyl)benzyl alcohol
• CAS No.: 197239-49-9
• Molecular Formula: C8H6F4O
• Molecular Weight: 194.129
• Hs Code.: 2906299090
• European Community (EC) Number: 671-096-5
• DSSTox Substance ID: DTXSID90372142
• Wikidata: Q72477407
• Mol file: 197239-49-9.mol

Synonyms:197239-49-9;2-FLUORO-4-(TRIFLUOROMETHYL)BENZYL ALCOHOL;(2-Fluoro-4-(trifluoromethyl)phenyl)methanol;[2-fluoro-4-(trifluoromethyl)phenyl]methanol;Benzenemethanol, 2-fluoro-4-(trifluoromethyl)-;4-Trifluoromethyl-2-fluorobenzyl alcohol;Benzenemethanol,2-fluoro-4-(trifluoromethyl)-;SCHEMBL857195;DTXSID90372142;MFCD00070808;AKOS006229557;AM62589;AT22427;CS-W010667;JS-4097;4-Trifluoromethyl-2-Fluoro Benzylalcohol;FT-0612328;EN300-1934935;A813897

Chemical Property of 2-Fluoro-4-(trifluoromethyl)benzyl alcohol

Chemical Property:

• Vapor Pressure: 0.233mmHg at 25°C
• Refractive Index: 1.447
• Boiling Point: 197.5 °C at 760 mmHg
• PKA: 13.46±0.10(Predicted)
• Flash Point: 73.3 °C
• PSA: 20.23000
• Density: 1.377 g/cm³
• LogP: 2.33680
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 194.03547746
• Heavy Atom Count: 13
• Complexity: 168

Purity/Quality:

98% ^*data from raw suppliers

2-Fluoro-4-(trifluoromethyl)benzylAlcohol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Fluoro-4-(trifluoromethyl)benzyl alcohol

There total 2 articles about 2-Fluoro-4-(trifluoromethyl)benzyl alcohol 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: 100.0%

2-Fluoro-4-(trifluoromethyl)benzaldehyde (89763-93-9) → 2-fluoro-4-(trifluoromethyl)benzyl alcohol (197239-49-9)

Guidance literature:

With sodium tetrahydroborate; In ethanol; at 0 - 20 ℃; for 1h;

DOI:10.1055/s-0030-1257871

Reference yield:

2-fluoro-4-(trifluoromethyl)benzoic acid (115029-24-8) → 2-fluoro-4-(trifluoromethyl)benzyl alcohol (197239-49-9)

Guidance literature:

In tetrahydrofuran; hexane; dichloromethane; ethyl acetate;

Reference yield: 96.0%

methanesulfonyl chloride (124-63-0) + 2-fluoro-4-(trifluoromethyl)benzyl alcohol (197239-49-9) → [2-fluoro-4-(trifluoromethyl)phenyl]methyl methanesulfonate

Guidance literature:

With triethylamine; In dichloromethane; at 0 ℃; for 1h; Inert atmosphere;

upstream raw materials:

2-fluoro-4-(trifluoromethyl)benzoic acid

2-Fluoro-4-(trifluoromethyl)benzaldehyde

Downstream raw materials:

{4'-Methoxy-3'-[(2-fluoro-4-trifluoromethylbenzyloxycarbonylamino)methyl]biphenyl-3-yl}acetic acid

{4'-Ethoxy-3'-[(2-fluoro-4-trifluoromethylbenzyloxycarbonylamino)methyl]biphenyl-3-yl}acetic acid

2-{4'-Methoxy-3'-[(2-fluoro-4-trifluoromethylbenzyloxycarbonylamino)methyl]biphenyl-3-yl}propionic acid

2-Fluoro-4-(trifluoromethyl)benzaldehyde