2,4,5-Trifluorobenzyl alcohol

Base Information

• Chemical Name: 2,4,5-Trifluorobenzyl alcohol
• CAS No.: 144284-25-3
• Molecular Formula: C7H5F3O
• Molecular Weight: 162.111
• Hs Code.: 29062990
• European Community (EC) Number: 642-585-0
• DSSTox Substance ID: DTXSID10380340
• Nikkaji Number: J3.153.019I
• Wikidata: Q72510974
• Mol file: 144284-25-3.mol

Synonyms:2,4,5-Trifluorobenzyl alcohol;144284-25-3;(2,4,5-trifluorophenyl)methanol;2,4,5-trifluorobenzylalcohol;Benzenemethanol, 2,4,5-trifluoro-;MFCD00061206;(2,4,5-trifluoro-phenyl)-methanol;SCHEMBL1167126;2,4,5-Trifluoro-benzenemethanol;DTXSID10380340;(2,4,5-trifluoro-phenyl)methanol;(2,4,5-trifluorophenyl) methanol;AKOS005063789;2,4,5-Trifluorobenzyl alcohol, 97%;AC-9755;CS-W010865;AS-15003;SY016913;AM20050272;FT-0609808;T2793;A22532;EN300-1840965;J-507059

Chemical Property of 2,4,5-Trifluorobenzyl alcohol

Chemical Property:

• Appearance/Colour: Colorless to pink liquid
• Vapor Pressure: 0.113mmHg at 25°C
• Melting Point: 24 °C
• Refractive Index: n20/D 1.472(lit.)
• Boiling Point: 192.5 °C at 760 mmHg
• PKA: 13.17±0.10(Predicted)
• Flash Point: 83.2 °C
• PSA: 20.23000
• Density: 1.398 g/cm³
• LogP: 1.59620
• Storage Temp.: 2-8°C
• 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: 131

Purity/Quality:

98%,99%, ^*data from raw suppliers

2,4,5-Trifluorobenzyl Alcohol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38-36/38
• Safety Statements: 26-36/37/39-37

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

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

Technology Process of 2,4,5-Trifluorobenzyl alcohol

There total 1 articles about 2,4,5-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: 96.0%

2,4,5-trifluorobenzaldehyde (165047-24-5) → (2,4,5-trifluorophenyl)methanol (144284-25-3)

Guidance literature:

With sodium tetrahydroborate; In methanol; at 0 - 25 ℃; for 0.833333h;

DOI:10.1016/j.ejmech.2010.12.008

Reference yield: 88.0%

(2,4,5-trifluorophenyl)methanol (144284-25-3) → 2,4,5-trifluorobenzyliodide

Guidance literature:

With boron trifluoride diethyl etherate; potassium iodide; In 1,4-dioxane; at 20 ℃; for 48h;

DOI:10.1016/j.tetasy.2014.06.001

Reference yield: 80.0%

(2,4,5-trifluorophenyl)methanol (144284-25-3) + triphenylphosphine hydrobromide (6399-81-1) → triphenyl(2,4,5-trifluorobenzyl)phosphonium bromide (1269260-21-0)

Guidance literature:

In tetrahydrofuran; acetonitrile; at 80 ℃; for 6h;

DOI:10.1016/j.ejmech.2010.12.008

upstream raw materials:

2,4,5-trifluorobenzaldehyde

Downstream raw materials:

ethyl (2E,4E,6E,8E)-3,7-dimethyl-9-(2 4 5-trifluorophenyl)nona-2 4 6 8-tetraenoate

(2E,4E,6E,8E)-3,7-dimethyl-9-(2,4,5-trifluorophenyl)nona-2,4,6,8-tetraenoic acid

triphenyl(2,4,5-trifluorobenzyl)phosphonium bromide

(R)-2-(tert-butoxycarbonylamino)-3-(2,4,5-trifluorophenyl)propanoic acid

Refernces

• 1、 Pratihar, Sanjay. "Electrophilicity and nucleophilicity of commonly used aldehydes". . p. 5781 - 5788. Retrieved 2014/07/22.