402-52-8

Basic information

• Product Name: 4-(Trifluoromethyl)anisole
• Synonyms: 4-METHOXYBENZOTRIFLUORIDE;4-(TRIFLUOROMETHYL)ANISOLE;1-(Trifluoromethyl)-4-methoxybenzene;1-Methoxy-4-(trifluoromethyl)benzene;4-(Trifluoromethyl)anisole ,98%;Benzene,1-Methoxy-4-(trifluoroMethyl)-;4-(Trifluoromethyl)anisole, 1-Methoxy-4-(trifluoromethyl)benzene, Methyl 4-(trifluoromethyl)phenyl ether;4-Methoxybenzotrifluoride[4-(TrifluoroMethyl)anisole]
• CAS NO: 402-52-8
• Molecular Formula: C₈H₇F₃O
• Molecular Weight: 176.14
• Product Categories: Anisoles, Alkyloxy Compounds & Phenylacetates;Fluorine Compounds
• Mol File: 402-52-8.mol
• Article Data: 95

Chemical Properties

• Melting Point: -9℃
• Boiling Point: 169℃/754mm
• Flash Point: 60°(140°F)
• Appearance: Colorless to pale yellow/Liquid
• Density: 1.245
• Vapor Pressure: 2.36mmHg at 25°C
• Refractive Index: 1.4450
• Storage Temp.: 2-8°C
• CAS DataBase Reference: 4-(Trifluoromethyl)anisole(CAS DataBase Reference)
• NIST Chemistry Reference: 4-(Trifluoromethyl)anisole(402-52-8)
• EPA Substance Registry System: 4-(Trifluoromethyl)anisole(402-52-8)

Safety Data

• Hazard Codes: Xi
• Statements: 10
• Safety Statements: 16-33
• RIDADR: 1993
• HazardClass: 3
• Hazardous Substances Data: 402-52-8(Hazardous Substances Data)

Usage

General Description

4-(Trifluoromethyl)anisole, also known as p-anisyl trifluoromethyl ether, is a chemical compound with the molecular formula C8H7F3O. It is a colorless liquid that is used as a solvent or reagent in organic synthesis. 4-(Trifluoromethyl)anisole is commonly used in pharmaceutical and agrochemical industries for its potential as an intermediate in the production of various compounds. It has a characteristic anisole odor and is considered to be stable under normal conditions. 4-(Trifluoromethyl)anisole has potential applications in the development of new drugs and agricultural products due to its unique chemical structure and properties.

InChI:InChI=1/C8H7F3O/c1-12-7-4-2-6(3-5-7)8(9,10)11/h2-5H,1H3

Upstream product

• 124-41-4 sodium methylate 
• 98-56-6 4-chlorobenzotrifluoride 
• 104-92-7 1-bromo-4-methoxy-benzene 
• 75-63-8 Bromotrifluoromethane 
• 2314-97-8 iodotrifluoromethane 
• 696-62-8 para-iodoanisole 
• 623-12-1 4-chloromethoxybenzene 
• 88986-32-7 methyl 3-oxa-ω-fluorosulfonylperfluoropentanoate 
• 2168-77-6 p-(methoxy)dithiobenzoic acid 
• 421-83-0 trifluoromethane sulfonyl chloride 
• 100-66-3 methoxybenzene 
• 402-43-7 p-trifluoromethylphenyl bromide 
• 171364-79-7 2-(4-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane 
• 5720-07-0 4-methoxyphenylboronic acid 

Downstream Products

• 72034-76-5 5-trifluoromethyl-1,3-cyclopentadiene 
• 402-45-9 4-hydroxybenzotrifluoride 
• 240139-82-6 (2-methoxy-5-(trifluoromethyl)phenyl)boronic acid 
• 402-10-8 2-bromo-1-methoxy-4-(trifluoromethyl)benzene 
• 791113-36-5 (2-methoxy-5-trifluoromethylphenyl)-phenylmethanol 
• 1345731-86-3 tert-butyl {(R)-2-[2-acetyl-4-(trifluoromethyl)phenoxy]-1-methylethyl}carbamate 
• 1345731-58-9 (3R,5S)-4-(4-chlorobenzoyl)-3,5-dimethyl-7-(trifluoromethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine 
• 111222-69-6 n-hexyl 4-(hexyloxy)benzoate 
• 81542-09-8 hexyl p-methoxybenzoate 
• 349-67-7 2-methoxy-5-(trifluoromethyl)phenol 
• 329943-19-3 ethyl [2-(3-cyanobenzoyl)-4-(trifluoromethyl)phenoxy]acetate 
• 329943-21-7 [2-(3-cyanobenzoyl)-4-(trifluoromethyl)phenoxy]acetic acid 
• 329943-23-9 [2-(3-cyanobenzoyl)-4-(trifluoromethyl)phenoxy]acetyl chloride 

Relevant articles and documents

NOVEL METHOD FOR PRODUCING PERFLUOROALKYLATING AGENTS USING MONOHYDROPERFLUOROALKANE AS STARTING MATERIAL, AND METHOD FOR PRODUCING AROMATIC PERFLUOROALKYL COMPOUND USING THE SAME

PROBLEM TO BE SOLVED: To provide a simple method for producing trifluoromethyltriol borate potassium from trifluoromethane. SOLUTION: There is provided a method for producing a compound represented by the formula [7], comprising: reacting a monohydroperfluoroalkane with a base and trialkyl borate in an organic solvent; and then reacting the reaction solution with triol. [In the formula, RF is an alkyl group such as a linear chain of C1-2, and a perfluoroalkyl group in which all H on C is substituted with F; R6 is H or a C1-2 linear alkyl group, or the like; M may be a metal or the like belonging to Group I, Group II, Group III, Group IV, Group V, Group VI, Group VII, Group VIII, Group IX, Group X, Group XI, Group XII, and Group XIII in the periodic table of elements, and they may be a single substance or a mixture of a plurality of substances and y corresponds to the oxidation number of the substance represented by M.] SELECTED DRAWING: None COPYRIGHT: (C)2021,JPOandINPIT

NOVEL METHOD FOR PRODUCING PERFLUOROALKYLATING AGENTS USING MONOHYDROPERFLUOROALKANE AS STARTING MATERIAL, AND METHOD FOR PRODUCING AROMATIC PERFLUOROALKYL COMPOUNDS USING THE SAME

To provide a simple method for producing silylated trifluoromethylcarbinol from trifluoromethane.SOLUTION: There is provided a method for producing a compound represented by the formula [1], in which the compound is obtained by reacting a monohydroperfluoroalkane, a carbonyl compound, and NaH in an organic solvent and then reacting the reaction solution with a silylating agent. [In the formula, RF is an alkyl group such as a linear chain of C1 to 2, and a perfluoroalkyl group in which all H on C is substituted with F; R1 and R2 are independently alkyl groups such as a linear chain of H or C1 to 2, or the like respectively; R1 and R2 may be integrated to form a ring; and R3, R4 and R5 are independently H or C1 to 2 linear alkyl groups, or the like respectively.]SELECTED DRAWING: None

Mechanistic Insight into Copper-Mediated Trifluoromethylation of Aryl Halides: The Role of CuI

The synthesis, characterization, and reactivity of key intermediates [Cu(CF3)(X)]-Q+ (X = CF3 or I, Q = PPh4) in copper-mediated trifluoromethylation of aryl halides were studied. Qualitative and quantitative studies showed [Cu(CF3)2]-Q+ and [Cu(CF3)(I)]-Q+ were not highly reactive. Instead, a much more reactive species, ligandless [CuCF3] or DMF-ligated species [(DMF)CuCF3], was generated in the presence of excess CuI. On the basis of these results, a general mechanistic map for CuI-promoted trifluoromethylation of aryl halides was proposed. Furthermore, on the basis of this mechanistic understanding, a HOAc-promoted protocol for trifluoromethylation of aryl halides with [Ph4P]+[Cu(CF3)2]- was developed.