403648-76-0

Basic information

• Product Name: 4-DIFLUOROMETHYLPHENOL
• Synonyms: 4-DIFLUOROMETHYLPHENOL;PHENOL, 4-(DIFLUOROMETHYL)-
• CAS NO: 403648-76-0
• Molecular Formula: C₇H₆F₂O
• Molecular Weight: 144.1187464
• Mol File: 403648-76-0.mol
• Article Data: 4

Chemical Properties

• Boiling Point: 200.334 °C at 760 mmHg
• Flash Point: 74.959 °C
• Appearance: /
• Density: 1.244 g/cm³
• Vapor Pressure: 0.23mmHg at 25°C
• Refractive Index: 1.488
• Storage Temp.: Inert atmosphere,Store in freezer, under -20°C
• PKA: 9.20±0.26(Predicted)
• CAS DataBase Reference: 4-DIFLUOROMETHYLPHENOL(CAS DataBase Reference)
• NIST Chemistry Reference: 4-DIFLUOROMETHYLPHENOL(403648-76-0)
• EPA Substance Registry System: 4-DIFLUOROMETHYLPHENOL(403648-76-0)

Safety Data

• Hazardous Substances Data: 403648-76-0(Hazardous Substances Data)

Usage

Description

4-Difluoromethylphenol, also known as 4-DIFLUOROMETHYLPHENOL, is an organic compound with the molecular formula C7H6F2O. It is a derivative of phenol, featuring a difluoromethyl group (-CF2H) at the para (4th) position of the phenol molecule. 4-DIFLUOROMETHYLPHENOL is characterized by its reactivity and unique properties due to the presence of the difluoromethyl group, which can be utilized in various chemical reactions and applications.

Uses

Used in Pharmaceutical Industry:
4-DIFLUOROMETHYLPHENOL is used as a reagent for the design and synthesis of haptens. These haptens are crucial in the development of catalytic antibodies with phosphatase activity against nerve agents. The application reason is that 4-DIFLUOROMETHYLPHENOL can be used to create specific haptens that can elicit a targeted immune response, leading to the production of antibodies capable of neutralizing harmful nerve agents.

InChI:InChI=1/C7H6F2O/c8-7(9)5-1-3-6(10)4-2-5/h1-4,7,10H

Upstream product

• 123-08-0 4-hydroxy-benzaldehyde 
• 915799-67-6 1-(benzyloxy)-4-(difluoromethyl)benzene 
• 4397-53-9 p-benzyloxybenzaldehyde 
• 1511-62-2 bromodifluoromethane 
• 71597-85-8 (p-hydroxyphenyl)boronic acid 

Relevant articles and documents

METHOD AND REAGENT FOR DEOXYFLUORINATION

A safe, simple, and selective method and reagent for deoxyfluorination is disclosed. With the method and reagent disclosed herein, organic compounds such as carboxylic acids, carboxylates, carboxylic acid anhydrides, aldehydes, and alcohols can be fluorinated by using the most common nucleophilic fluorinating reagents and electron deficient fluoroarenes as mediators under mild conditions, giving corresponding fluoroorganic compounds in excellent yield with a wide range of functional group compatibility and easy product purification. For example, directly utilizing KF for deoxyfluorination of carboxylic acids provides the most economical and the safest pathway to access acyl fluorides, key intermediates for syntheses of peptide, amide, ester, and dry fluoride salts.

Synthesis and evaluation of general mechanism-based inhibitors of sulfatases based on (difluoro)methyl phenyl sulfate and cyclic phenyl sulfamate motifs

Several model mechanism-based inhibitors (MbIs) were designed and evaluated for their ability to inhibit sulfatases. The MbI motifs were based on simple aromatic sulfates, which are known to be commonly accepted substrates across this highly conserved enzyme class, so that they might be generally useful for sulfatase labeling studies. (Difluoro)methyl phenol sulfate analogs, constructed to release a reactive quinone methide trap, were not capable of irreversibly inactivating the sulfatase active site. On the other hand, the cyclic sulfamates (CySAs) demonstrated inhibition profiles consistent with an active site-directed mode of action. These molecules represent a novel scaffold for labeling sulfatases and for probing their catalytic mechanism.