2,3,4,5-Tetrafluorobenzyl alcohol

Base Information

• Chemical Name: 2,3,4,5-Tetrafluorobenzyl alcohol
• CAS No.: 53072-18-7
• Molecular Formula: C7H4F4O
• Molecular Weight: 180.102
• Hs Code.: 2906299090
• European Community (EC) Number: 622-927-5
• DSSTox Substance ID: DTXSID90370108
• Nikkaji Number: J924.010A
• Wikidata: Q72505102
• Mol file: 53072-18-7.mol

Synonyms:2,3,4,5-Tetrafluorobenzyl alcohol;53072-18-7;(2,3,4,5-tetrafluorophenyl)methanol;Benzenemethanol, 2,3,4,5-tetrafluoro-;MFCD01631452;(2,3,4,5-Tetrafluoro-phenyl)-methanol;2, 3, 4, 5-Tetrafluorobenzyl alcohol;SCHEMBL1201503;DTXSID90370108;HLUZGUMMQYQHKJ-UHFFFAOYSA-N;AKOS015854387;AC-9752;DS-12682;2,3,4,5-Tetrafluorobenzyl alcohol, 97%;CS-0157316;FT-0609349;T1883;A22528;D71076;EN300-333610

Chemical Property of 2,3,4,5-Tetrafluorobenzyl alcohol

Chemical Property:

• Appearance/Colour: clear colorless to light yellow liquid
• Vapor Pressure: 0.428mmHg at 25°C
• Refractive Index: n20/D 1.456(lit.)
• Boiling Point: 186.309 °C at 760 mmHg
• PKA: 12.83±0.10(Predicted)
• Flash Point: 66.478 °C
• PSA: 20.23000
• Density: 1.5 g/cm³
• LogP: 1.73530
• Storage Temp.: 2-8°C
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 180.01982740
• Heavy Atom Count: 12
• Complexity: 154

Purity/Quality:

99% ^*data from raw suppliers

2,3,4,5-Tetrafluorobenzyl Alcohol ^*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)F)CO

Technology Process of 2,3,4,5-Tetrafluorobenzyl alcohol

There total 6 articles about 2,3,4,5-Tetrafluorobenzyl 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: 98.0%

2,3,4,5-tetrafluorobenzoic acid (1201-31-6) → 2,3,4,5-tetrafluorobenzyl alcohol (53072-18-7)

Guidance literature:

With borane-THF; In tetrahydrofuran; at 25 ℃; for 20h; Inert atmosphere;

DOI:10.1016/j.bmc.2021.116498

Reference yield: 97.0%

2,3,4,5-tetrafluorobenzoyl chloride (94695-48-4) → 2,3,4,5-tetrafluorobenzyl alcohol (53072-18-7)

Guidance literature:

With sodium tetrahydroborate; In 1,2-dimethoxyethane; water; at 5 - 80 ℃; for 4h; Inert atmosphere;

Reference yield: 86.0%

(2,3,4,5,6-pentafluorophenyl)methanol (440-60-8) → 2,3,4,5-tetrafluorobenzyl alcohol (53072-18-7)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; 1.) -78 deg C, 2.) 0 deg C, 30 min;

upstream raw materials:

methanol

Pentafluorobenzene

(2,3,4,5,6-pentafluorophenyl)methanol

2,3,4,5-tetrafluorobenzoic acid

Downstream raw materials:

2,3,4,5-tetrafluorobenzoic acid

2,3,4,5-tetrafluorobenzaldehyde

(S)-2-amino-3-(2,3,4,5-tetrafluorophenyl)propionic acid

2,3,4,5-tetrafluorobenzyl bromide

Refernces

• 1、 Církva, Vladimír,Jakubík, Pavel,Stra?ák, Tomá?,Hrbá?, Jan,Sykora, Jan,Císa?ová, Ivana,Vacek, Jan,?ádny, Jaroslav,Storch, Jan. "Preparation and Physicochemical Properties of [6]Helicenes Fluorinated at Terminal Rings". . . Retrieved 2019/02/19.
• 2、 Bogachev,Kobrina. "Photochemical Aromatization of 8-Chloro-1,2,3,4,8-pentafluoro-bicyclo[2.2.2]octa-2,5-dien-7-ones". . p. 681 - 683. Retrieved 2007/10/03.