3,4,5-Trifluorobenzyl alcohol

Base Information

• Chemical Name: 3,4,5-Trifluorobenzyl alcohol
• CAS No.: 220227-37-2
• Molecular Formula: C7H5F3O
• Molecular Weight: 162.111
• Hs Code.: 29062990
• European Community (EC) Number: 642-879-9
• DSSTox Substance ID: DTXSID50380344
• Wikidata: Q72510844
• Mol file: 220227-37-2.mol

Synonyms:3,4,5-Trifluorobenzyl alcohol;220227-37-2;(3,4,5-trifluorophenyl)methanol;3,4,5-Trifluorobenzenemethanol;Benzenemethanol, 3,4,5-trifluoro-;MFCD00083527;DIBENZYLSULFONE;SCHEMBL391375;3,4,5-trifluoro-benzenemethanol;DTXSID50380344;(3,4,5-trifluoro phenyl)methanol;(3,4,5-trifluoro-phenyl)methanol;(3,4,5-trifluorophenyl) methanol;(3,4,5-trifluoro phenyl) methanol;AKOS009157983;3,4,5-Trifluorobenzyl alcohol, 95%;PS-10188;SY022845;FT-0614144;EN300-1852025;A815836;J-014426

Chemical Property of 3,4,5-Trifluorobenzyl alcohol

Chemical Property:

• Vapor Pressure: 0.313mmHg at 25°C
• Refractive Index: n20/D 1.4700(lit.)
• Boiling Point: 192.145 °C at 760 mmHg
• Flash Point: 83.021 °C
• PSA: 20.23000
• Density: 1.399 g/cm³
• LogP: 1.59620
• Water Solubility.: Soluble in water 100 g/L.
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 162.02924926
• Heavy Atom Count: 11
• Complexity: 119

Purity/Quality:

99% min ^*data from raw suppliers

3,4,5-TrifluorobenzylAlcohol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=C(C=C(C(=C1F)F)F)CO
• Uses: 3,4,5-Trifluorobenzyl alcohol is used as chemical reagent.

Technology Process of 3,4,5-Trifluorobenzyl alcohol

There total 3 articles about 3,4,5-Trifluorobenzyl 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:

3,4,5-trifluorobenzaldehyde (132123-54-7) → (3,4,5-trifluorophenyl)methanol (220227-37-2)

Guidance literature:

With sodium tetrahydroborate; In ethanol; at 20 ℃; for 0.5h;

DOI:10.1021/jp0021042

Reference yield:

3,4,5-trifluoro-1-bromobenzene (138526-69-9) → (3,4,5-trifluorophenyl)methanol (220227-37-2)

Guidance literature:

Multi-step reaction with 2 steps

1.1: magnesium / tetrahydrofuran / 1 h / 40 °C / Inert atmosphere

1.2: 1 h / 20 °C / Inert atmosphere; Cooling with ice

2.1: sodium tetrahydroborate / water; ethanol / 2 h / 20 °C / Cooling with ice

With sodium tetrahydroborate; magnesium; In tetrahydrofuran; ethanol; water;

Reference yield:

→ (3,4,5-trifluorophenyl)methanol (220227-37-2)

Guidance literature:

With sodium tetrahydroborate; ethanol; at 20 ℃; for 1h; Cooling with ice;

upstream raw materials:

3,4,5-trifluorobenzaldehyde

3,4,5-trifluoro-1-bromobenzene

Refernces

• 1、 -. "COMPOUND HAVING 2-FLUOROPHENYLOXYMETHANE STRUCTURE". Paragraph 0093. . Retrieved 2014/09/30.
• 2、 Badjic, Jovica D.,Kostic, Nenad M.. "Unexpected interactions between sol-gel silica glass and guest molecules. Extraction of aromatic hydrocarbons into polar silica from hydrophobie solvents". . p. 11081 - 11087. Retrieved 2007/10/03.