440-60-8

Basic information

• Product Name: 2,3,4,5,6-Pentafluorobenzyl alcohol
• Synonyms: (2,3,4,5,6-PENTAFLUOROPHENYL)METHANOL;2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOL;PENTAFLUOROBENZYL ALCOHOL;PENTAFLUOROPHENYLMETHANOL;RARECHEM AL BD 0017;(Hydroxymethyl)pentafluorobenzene;2,3,4,5,6-pentafluoro-benzenemethano;2,3,4,5,6-pentafluorobenzenemethanol
• CAS NO: 440-60-8
• Molecular Formula: C₇H₃F₅O
• Molecular Weight: 198.09
• EINECS: 207-126-7
• Product Categories: Benzhydrols, Benzyl & Special Alcohols;Alcohols;C7 to C8;Oxygen Compounds
• Mol File: 440-60-8.mol
• Article Data: 27

Chemical Properties

• Melting Point: 37-38 °C(lit.)
• Boiling Point: 114-115 °C60 mm Hg(lit.)
• Flash Point: 190 °F
• Appearance: white crystalline mass
• Density: 1.4485 (estimate)
• Vapor Pressure: 0.115mmHg at 25°C
• Refractive Index: 1.487
• Storage Temp.: Store below +30°C.
• Solubility: Chloroform (Slightly), Methanol (Slightly)
• PKA: 13.07±0.10(Predicted)
• BRN: 2052669
• CAS DataBase Reference: 2,3,4,5,6-Pentafluorobenzyl alcohol(CAS DataBase Reference)
• NIST Chemistry Reference: 2,3,4,5,6-Pentafluorobenzyl alcohol(440-60-8)
• EPA Substance Registry System: 2,3,4,5,6-Pentafluorobenzyl alcohol(440-60-8)

Safety Data

• Hazard Codes: Xn,Xi
• Statements: 22-36/37/38
• Safety Statements: 36-36/37/39-26-22-24/25
• WGK Germany: 3
• RTECS: DP0695000
• HazardClass: IRRITANT
• Hazardous Substances Data: 440-60-8(Hazardous Substances Data)

Usage

Chemical Properties

white crystalline mass

Uses

2,3,4,5,6-Pentafluorobenzyl alcohol was used in the synthesis of pentafluorobenzyloxy substituted metal-free phthalocyanine.

Definition

ChEBI: An organofluorine compound that is benzyl alcohol substituted by fluoro groups at positions 2, 3, 4, 5 and 6.

General Description

Structures of complex of horse liver alchohol dehydrogenase enzyme with 2,3,4,5,6-pentafluorobenzyl alcohol has been investigated by X-ray crystallography.

InChI:InChI=1/C9H9FO2/c1-2-12-9(11)7-5-3-4-6-8(7)10/h3-6H,2H2,1H3

Upstream product

• 653-37-2 perfluorobenzaldehyde 
• 36629-42-2 methyl pentafluorobenzoate 
• 657-26-1 L-lysine dihydrochloride 
• 15989-99-8 2,3,4,5,6-pentafluorobenzoic anhydride 
• 50-00-0 formaldehyd 
• 363-72-4 Pentafluorobenzene 
• 602-94-8 Pentafluorobenzoic acid 
• 1478-07-5 2,3,4,5,6-pentafluorobenzoyl fluoride 
• 827-15-6 1,2,3,4,5-pentafluoro-6-iodobenzene 
• 771-56-2 2,3,4,5,6-pentafluorotoluene 
• 344-04-7 bromopentafluorobenzene 
• 2561-28-6 2-((perfluorophenyl)methyl)isoindoline-1,3-dione 
• 653-35-0 2,3,4,5,6-pentafluorobenzyl chloride 
• 1765-40-8 (bromomethyl)pentafluorobenzene 

Downstream Products

• 53526-74-2 2,3,4,5,6-pentafluorobenzyl chloroformate 
• 94908-35-7 (pentafluorophenyl)methyl 2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylate 
• 362-49-2 4-nitro-benzoic acid-(2,3,4,5,6-pentafluoro-benzyl ester) 
• 21635-03-0 Octanoic acid pentafluorobenzyl ester 
• 21635-05-2 Decanoic acid pentafluorobenzyl ester 
• 21635-04-1 benzoic acid pentafluorobenzyl ester 
• 21635-01-8 Pentafluorobenzyl hexanoate 
• 75-44-5 phosgene 
• 653-31-6 2-(pentafluorophenyl)ethanol 
• 653-30-5 (pentafluorophenyl)acetonitrile 
• 653-20-3 2.3.4.5.6-Pentafluor-phenylacetamid 
• 653-21-4 2,3,4,5,6-pentafluorophenylacetic acid 
• 1583-76-2 2-(2,3,4,5,6-pentafluorophenyl)ethan-1-amine 
• 784-35-0 ethyl pentafluorophenylacetate 

Relevant articles and documents

Mono- and Di-Mesoionic Carbene-Boranes: Synthesis, Structures and Utility as Reducing Agents

Mesoionic carbenes (MIC) of the 1,2,3-triazol-5-ylidene type are currently popular ligands in organometallic chemistry. Their use in main group chemistry has been rather limited. In this contribution we present mono- and di-MIC-boranes with MICs based on triazolylidenes. The synthesis involves in-situ deprotonation of the corresponding triazolium salts and their reaction with boranes to form the desired compounds. Whereas this reaction route worked well for all triazolium salts derived from the 1,4-regioisomer of the triazoles, for the methlyene-bridged bi-triazolium salt derived from a 1,5-substiuted triazole, we observed the unexpected decomposition of the bi-triazolium and the formation of a triazole-borane with a new N?B bond. All compounds were characterized via multinuclear NMR spectroscopy, mass spectrometry, and single crystal X-ray diffraction. Furthermore, the MIC-boranes were used as reducing agents for the reduction of the C=O of aldehydes to the corresponding alcohols.

Method for preparing polyfluorobenzyl alcohol

The invention relates to a method for preparing polyfluorobenzyl alcohol, and belongs to the technical field of organic synthesis. The method comprises the following steps: 1. allowing polyfluorobenzoic acid and a dehydrating reagent to a reflux reaction; 2 adding sodium borohydride to a product obtained in step 1 to perform a reduction reaction to obtain the polyfluorobenzyl alcohol. Although themethod provided by the invention requires two steps, the selectivity of the two-step reaction is high, no side reaction exists, no organic three wastes exist, and the yield is also higher than that of the existing method.