241127-76-4

Basic information

• Product Name: Benzenemethanol, 4-nitro-alpha-(trifluoromethyl)- (9CI)
• Synonyms: Benzenemethanol, 4-nitro-alpha-(trifluoromethyl)- (9CI);2,2,2-trifluoro-1-(4-nitrophenyl)ethanol;1-(4-Nitrophenyl)-2,2,2-trifluoroethanol
• CAS NO: 241127-76-4
• Molecular Formula: C₈H₆F₃NO₃
• Molecular Weight: 221.1333496
• Product Categories: ACETYLHALIDE
• Mol File: 241127-76-4.mol
• Article Data: 20

Chemical Properties

• Melting Point: 128-130 °C
• Boiling Point: 314.1±42.0 °C(Predicted)
• Appearance: /
• Density: 1.486±0.06 g/cm3(Predicted)
• Storage Temp.: 2-8°C
• Solubility: Chloroform (Slightly), Methanol (Slightly)
• PKA: 11.13±0.10(Predicted)
• CAS DataBase Reference: Benzenemethanol, 4-nitro-alpha-(trifluoromethyl)- (9CI)(CAS DataBase Reference)
• NIST Chemistry Reference: Benzenemethanol, 4-nitro-alpha-(trifluoromethyl)- (9CI)(241127-76-4)
• EPA Substance Registry System: Benzenemethanol, 4-nitro-alpha-(trifluoromethyl)- (9CI)(241127-76-4)

Safety Data

• Hazardous Substances Data: 241127-76-4(Hazardous Substances Data)

Usage

General Description

Benzenemethanol, 4-nitro-alpha-(trifluoromethyl)- (9CI) is a chemical compound with the molecular formula C8H6F3NO3. It is a derivative of benzenemethanol that consists of a nitro group and a trifluoromethyl group attached to the alpha carbon, resulting in a highly reactive and potentially toxic compound. This chemical is commonly used as an intermediate in the synthesis of various pharmaceuticals and agrochemicals. It should be handled with care and proper safety precautions due to its potential hazards.

Upstream product

• 555-16-8 4-nitrobenzaldehdye 
• 81290-20-2 (trifluoromethyl)trimethylsilane 
• 426-58-4 (trifluoromethylsulfonyl)benzene 
• 75-46-7 trifluoromethan 
• 619-73-8 4-nitrobenzyl chloride 

Downstream Products

• 178042-35-8 1-(4-aminophenyl)-2,2,2-trifluoroethanol 
• 1135312-08-1 (R)-2,2,2-trifluoro-1-(4'-nitrophenyl)ethanol 
• 1135311-93-1 (S)-2,2,2-trifluoro-1-(4'-nitrophenyl)ethyl isobutyrate 
• 1135312-29-6 2,2,2-trifluoro-1-(4'-nitrophenyl)ethyl isobutyrate 
• 58808-61-0 α,α,α-trifluoro-4-nitroacetophenone 
• 144459-68-7 α,α-bis(trifluoromethyl)-4-nitrobenzylalkohol 

Relevant articles and documents

Fluorine-18 labelled Ruppert-Prakash reagent ([18F]Me3SiCF3) for the synthesis of 18F-trifluoromethylated compounds

This article describes the first synthesis and application of fluorine-18 labelled Ruppert-Prakash reagent [18F]Me3SiCF3. [18F]Me3SiCF3 was synthesized from [18F]fluoroform with radiochemical yields of 85-95% and radiochemical purities of >95% within 20 m

FLUOROALKYLATING AGENT

Problem to be Solved It is intended to provide an industrially preferable fluoroalkylating agent and use thereof. Solution The present invention provides a fluoroalkylating agent represented by the general formula (1) wherein R1 is a C1 to C8 fluoroalkyl group; R2 and R3 are each independently a C1 to C12 alkyl group or the like; Y1 to Y4 are each independently a hydrogen atom, a halogen atom, or the like; and X? is a monovalent anion. A compound of the general formula (3): R4—S—R1 having an introduced C1 to C8 fluoroalkyl group is easily obtained by reacting a compound of the general formula (2): R4—S—Z wherein R4 is a hydrocarbon group or the like; and Z is a leaving group, with the compound of the general formula (1).

Flow trifluoromethylation of carbonyl compounds by Ruppert-Prakash reagent and its application for pharmaceuticals, efavirenz and HSD-016

The Ruppert-Prakash reagent is the most powerful and well-documented reagent for trifluoromethylation. Despite its versatility, no general method exists for its use in a flow system. Here we report the first flow trifluoromethylation of carbonyl compounds