721-37-9

Basic information

• Product Name: 2,2,2-TRIFLUORO-3'-(TRIFLUOROMETHYL)ACETOPHENONE
• Synonyms: 3-Trifluoromethyltrifluoroacetophenone;2,2,2-TRIFLUORO-1-(3-TRIFLUOROMETHYLPHENYL)ETHANONE;2,2,2-TRIFLUORO-3'-(TRIFLUOROMETHYL)ACETOPHENONE;ALPHA,ALPHA,ALPHA-TRIFLUORO-3-(TRIFLUOROMETHYL)ACETOPHENONE;3-TRIFLUOROMETHYL-A,A,A-TRIFLUOROACETOPHENONE;3-Trifluoromethyl-alpha,alpha,alpha-trifluoroacetophenone;2,2,2-Trifluoro-3'-(trifluoromethyl)acetophenone 98%;2,2,2-Trifluoro-3'-(trifluoromethyl)acetophenone98%
• CAS NO: 721-37-9
• Molecular Formula: C₉H₄F₆O
• Molecular Weight: 242.12
• Product Categories: C9;Carbonyl Compounds;Ketones
• Mol File: 721-37-9.mol
• Article Data: 6

Chemical Properties

• Melting Point: 76-77 °C
• Boiling Point: 65-67 °C24 mm Hg(lit.)
• Flash Point: 139 °F
• Appearance: /
• Density: 1.418 g/mL at 25 °C(lit.)
• Vapor Pressure: 2.37mmHg at 25°C
• Refractive Index: n20/D 1.415(lit.)
• Storage Temp.: 2-8°C
• CAS DataBase Reference: 2,2,2-TRIFLUORO-3'-(TRIFLUOROMETHYL)ACETOPHENONE(CAS DataBase Reference)
• NIST Chemistry Reference: 2,2,2-TRIFLUORO-3'-(TRIFLUOROMETHYL)ACETOPHENONE(721-37-9)
• EPA Substance Registry System: 2,2,2-TRIFLUORO-3'-(TRIFLUOROMETHYL)ACETOPHENONE(721-37-9)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36
• RIDADR: UN 1224 3/PG 3
• WGK Germany: 3
• HazardClass: 3.2
• PackingGroup: III
• Hazardous Substances Data: 721-37-9(Hazardous Substances Data)

Usage

Description

2,2,2-TRIFLUORO-3'-(TRIFLUOROMETHYL)ACETOPHENONE, also known as 3-trifluoromethyltrifluoroacetophenone, is an organic compound synthesized through Grignard synthesis using m-trifluoromethylbromo-benzene and trifluoroacetic acid. It is characterized by the presence of trifluoromethyl and trifluoroacetyl groups attached to a benzene ring, which may contribute to its unique chemical properties and potential applications.

Uses

Used in Chemical Synthesis Industry:
2,2,2-TRIFLUORO-3'-(TRIFLUOROMETHYL)ACETOPHENONE is used as an intermediate compound for the synthesis of various organic compounds and pharmaceuticals. Its unique structure, featuring trifluoromethyl and trifluoroacetyl groups, allows it to serve as a versatile building block in the development of new molecules with specific properties and functions.
Used in Pharmaceutical Industry:
2,2,2-TRIFLUORO-3'-(TRIFLUOROMETHYL)ACETOPHENONE is used as a key component in the development of pharmaceutical agents. Its chemical properties may contribute to the design of drugs with improved efficacy, selectivity, and reduced side effects. 2,2,2-TRIFLUORO-3'-(TRIFLUOROMETHYL)ACETOPHENONE's potential applications in drug discovery and medicinal chemistry warrant further research and exploration.

InChI:InChI=1/C9H4F6O/c10-8(11,12)6-3-1-2-5(4-6)7(16)9(13,14)15/h1-4H

Upstream product

• 402-26-6 3-(trifluoromethyl)phenylmagnesium bromide 
• 407-25-0 trifluoroacetic anhydride 
• 2557-13-3 3-trifluoromethylbenzoic acid methyl ester 
• 500-73-2 phenyl trifluoroacetate 
• 1423-26-3 (meta-(trifluoromethyl)phenyl)boronic acid 
• 401-78-5 3-bromo-1-trifluoromethylbenzene 
• 360-92-9 N,N-diethyl-2,2,2-trifluoroacetamide 
• 76-05-1 trifluoroacetic acid 

Downstream Products

• 35462-77-2 1-Trifluoromethyl-3-(2,2,2-trifluoro-1-trifluoromethyl-ethyl)-benzene 
• 401-05-8 2-<3-(Trifluoromethyl)phenyl>-3,3,3-trifluoropropene 
• 573715-27-2 2,2,2-trifluoro-1-(3-methyl-4-methylaminophenyl)-1-(3-trifluoromethyl-phenyl)-ethanol 
• 1132701-17-7 3'-iodo-5'-trifluoromethyl-2,2,2-trifluoroacetophenone 
• 1446805-32-8 C₂₁H₁₄F₆O₄ 
• 1446805-44-2 C₂₁H₁₂F₆O₃ 
• 1446805-56-6 C₂₁H₁₂F₆O₃ 
• 1118626-57-5 3-methoxy-N-(5-(5-(trifluoromethyl)-5-(3-(trifluoromethyl)phenyl)-4,5-dihydroisoxazol-3-yl)-2,3-dihydro-1H-inden-1-yl)propanamide 
• 122243-14-5 3-Nitro-benzenesulfonic acid 2,2,2-trifluoro-1-methyl-1-(3-trifluoromethyl-phenyl)-ethyl ester 
• 84877-49-6 Trifluoro-methanesulfonic acid 2,2,2-trifluoro-1-(3-trifluoromethyl-phenyl)-ethyl ester 
• 6919-61-5 N-methoxy-N-methylbenzamide 

Relevant articles and documents

Condensed ring compd.

A condensed ring compound capable of becoming an intermediate product suitable for isoxazolines is represented by formula (I). In formula (I), X" represents a halogen atom or the like; n represents any one of integers 0 to 5; X' represents a halogen atom

Substituent effects. XIX. Solvolysis of 1-aryl-1-(trifluoromethyl)ethyl tosylates

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Reduction by a Model of NAD(P)H. 29. Kinetics and Isotope Effects for the Reduction of Substituted Trifluoroacetophenone

Kinetics for the reduction of substituted and unsubstituted α,α,α-trifluoroacetophenone by a model of NAD(P)H in acetonitrile in the presence and absence of a magenesium ion, a catalyst, has been studied.The catalyzed and uncatalyzed reactions show linear free-energy relationships.It is found that the magnesium ion retards the reaction of ceratain substituted trifluoroacetophenones.The kinetic isotope effect and the isotopic ratio in the product are also studied.These values vary depending on the substituent and on the presence or absence of the magnesium ion.The result indicates that there is at least one intermediate in the reaction and is discussed in relation to the stability of the intermediate as well as that of the transition states.