53001-70-0

Basic information

• Product Name: 2,3,4,6-TETRAFLUOROBENZYL ALCOHOL
• Synonyms: 2,3,4,6-TETRAFLUOROBENZYL ALCOHOL;(2,3,4,6-Tetrafluorophenyl)methanol
• CAS NO: 53001-70-0
• Molecular Formula: C₇H₄F₄O
• Molecular Weight: 180.1
• Mol File: 53001-70-0.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 180.2oC at 760 mmHg
• Flash Point: 62.8oC
• Appearance: /
• Density: 1.499g/cm3
• Vapor Pressure: 0.592mmHg at 25°C
• Refractive Index: 1.4530 to 1.4570
• PKA: 12.69±0.10(Predicted)
• CAS DataBase Reference: 2,3,4,6-TETRAFLUOROBENZYL ALCOHOL(CAS DataBase Reference)
• NIST Chemistry Reference: 2,3,4,6-TETRAFLUOROBENZYL ALCOHOL(53001-70-0)
• EPA Substance Registry System: 2,3,4,6-TETRAFLUOROBENZYL ALCOHOL(53001-70-0)

Safety Data

• Hazardous Substances Data: 53001-70-0(Hazardous Substances Data)

Usage

General Description

2,3,4,6-Tetrafluorobenzyl alcohol is an organic chemical compound with the formula C7H4F4O. It is a colorless liquid with a faint odor, and is used as a building block in the synthesis of various pharmaceutical and agrochemical products. It is also a potential precursor for the formation of polymer coatings and adhesives. The compound has low solubility in water, but is miscible with most organic solvents. It is important to handle 2,3,4,6-Tetrafluorobenzyl alcohol with caution, as it may cause skin and eye irritation, and inhalation can lead to respiratory issues.

InChI:InChI=1/C7H4F4O/c8-4-1-5(9)7(11)6(10)3(4)2-12/h1,12H,2H2

Upstream product

• 123016-51-3 2,3,4,6-tetrafluorobenzoyl chloride 
• 1559-86-0 2-bromo-1,3,4,5-tetrafluorobenzene 
• 32890-92-9 2,3,4,6-tetrafluorobenzoic acid 

Downstream Products

• 32890-92-9 2,3,4,6-tetrafluorobenzoic acid 
• 1354960-97-6 tert-butyl 2,3,4,6-tetrafluorobenzoate 
• 53001-72-2 2-(bromomethyl)-1,3,4,5-tetrafluorobenzene 

Relevant articles and documents

Direct evidence of edge-to-face CH/π interaction for PAR-1 thrombin receptor activation

Heptapeptide SFLLRNP is a receptor–tethered ligand of protease-activated receptor 1 (PAR-1), and its Phe at position 2 is essential for the aggregation of human platelets. To validate the structural elements of the Phe-phenyl group in receptor activation, we have synthesized a complete set of S/Phe/LLRNP peptides comprising different series of fluorophenylalanine isomers (Fn)Phe, where n = 1, 2, 3, and 5. Phe-2-phenyl was strongly suggested to be involved in the edge-to-face CH/π interaction with the receptor aromatic group. In the present study, to prove this receptor interaction definitively, we synthesized another series of peptide analogs containing (F4)Phe-isomers, with the phenyl group of each isomer possessing only one hydrogen atom at the ortho, meta, or para position. When the peptides were assayed for their platelet aggregation activity, S/(2,3,4,6-F4)Phe/LLRNP and S/(2,3,4,5-F4)Phe/LLRNP exhibited noticeable activity (34% and 6% intensities of the native peptide, respectively), whereas S/(2,3,5,6-F4)Phe/LLRNP was completely inactive. The results indicated that, at the ortho and meta positions but not at the para position, benzene-hydrogen atoms are required for the CH/π interaction to activate the receptor. The results provided a decisive evidence of the molecular recognition property of Phe, the phenyl benzene-hydrogen atom of which participates directly in the interaction with the receptor aromatic π plane.