384-64-5

Basic information

• Product Name: 3-(TRIFLUOROMETHYL)STYRENE
• Synonyms: ALPHA-(TRIFLUOROMETHYL)STYRENE;α-(Trifluoromethyl)-styrene;[1-(Trifluoromethyl)ethenyl]benzene;1-(Trifluoromethyl)-1-phenylethene;1,1,1-Trifluoro-2-phenyl-2-propene;3,3,3-Trifluoro-2-phenyl-1-propene;(3,3,3-Trifluoroprop-1-en-2-yl)benzene, [1-(Trifluoromethyl)vinyl]benzene;alpha-(Trifluoromethyl)styrene97%
• CAS NO: 384-64-5
• Molecular Formula: C₉H₇F₃
• Molecular Weight: 172.15
• Mol File: 384-64-5.mol
• Article Data: 36

Chemical Properties

• Boiling Point: 64.5 °C40 mm Hg(lit.)
• Flash Point: 108 °F
• Appearance: /
• Density: 1.161 g/mL at 25 °C(lit.)
• Vapor Pressure: 1.18mmHg at 25°C
• Refractive Index: n20/D 1.465(lit.)
• CAS DataBase Reference: 3-(TRIFLUOROMETHYL)STYRENE(CAS DataBase Reference)
• NIST Chemistry Reference: 3-(TRIFLUOROMETHYL)STYRENE(384-64-5)
• EPA Substance Registry System: 3-(TRIFLUOROMETHYL)STYRENE(384-64-5)

Safety Data

• Hazard Codes: Xi
• Statements: 10-36/37/38
• Safety Statements: 16-26-36/37/39-36
• RIDADR: UN 1993 3/PG 3
• WGK Germany: 3
• Hazardous Substances Data: 384-64-5(Hazardous Substances Data)

Usage

General Description

3-(Trifluoromethyl)styrene is a chemical compound with the molecular formula C9H7F3. It is a flammable liquid with a sweet, fruity odor. 3-(Trifluoromethyl)styrene is used as a building block in the synthesis of various organic compounds, including pharmaceuticals, agrochemicals, and polymers. It is also used as a monomer in the production of specialty polymers with improved thermal and chemical resistance. Additionally, 3-(Trifluoromethyl)styrene is a valuable reagent in organic synthesis, particularly in the preparation of aryltrifluoromethyl compounds, which have applications in medicinal chemistry and material science. However, it is important to handle this chemical with care, as it is flammable and may pose health hazards if not handled properly.

InChI:InChI=1/C9H7F3/c1-7(9(10,11)12)8-5-3-2-4-6-8/h2-6H,1H2

Upstream product

• 64-18-6 formic acid 
• 73572-26-6 1-phenyl-1-methyl-2,2,2-trifluoroethyl tosylate 
• 1186-52-3 tetradeuterioacetic acid 
• 64-19-7 acetic acid 
• 421-50-1 1,1,1-trifluoro-2-propanone 
• 71-43-2 benzene 
• 431-21-0 1,2-Dibromo-3,3,3-trifluoropropane 
• 98-80-6 phenylboronic acid 
• 1514-82-5 2-bromo-3,3,3-trifluoropropene 
• 434-45-7 2,2,2-Trifluoroacetophenone 
• 18107-18-1 diazomethyl-trimethyl-silane 
• 98-86-2 acetophenone 
• 228123-22-6 trimethyl-(2,2,2-trifluoro-1-methyl-1-phenyl-ethoxy)-silane 
• 98-81-7 1-bromovinylbenzene 

Downstream Products

• 138536-05-7 2-Methyl-3,5-diphenyl-5-trifluoromethyl-isoxazolidine 
• 220886-33-9 1-Phenyl-1-(trifluormethyl)-ethan-1,2-diol 
• 1079398-09-6 C₁₇H₁₄F₂O₂ 
• 1079398-08-5 C₁₆H₁₁F₂N 
• 76280-44-9 (E)-(3,3,3-trifluoroprop-1-ene-1,2-diyl)dibenzene 
• 77599-34-9 1,2-diphenyl-3,3,3-trifluoropropane 
• 1079398-05-2 C₁₅H₁₁F₃ 
• 1079398-11-0 C₁₅H₁₁ClF₂ 
• 1079398-10-9 C₁₆H₁₄F₂ 
• 1079398-04-1 1-(3,3-difluoro-2-phenylallyl)-4-methylbenzene 
• 700-59-4 β,β-difluoro-α-methylstyrene 
• 161361-16-6 α-trifluoromethyl ethylbenzene 
• 55904-28-4 (Z)-β-fluoro-α-methylstyrene 
• 55904-29-5 (E)-β-fluoro-α-methylstyrene 

Relevant articles and documents

Site-Selective Defluorinative sp3C-H Alkylation of Secondary Amides

A site-selective defluorinative sp3 C-H alkylation of secondary amides that rapidly and reliably incorporates gem-difluoroalkene motifs into previously unfunctionalized sp3 sites is disclosed. This protocol is distinguished by its mild conditions, wide scope, and exquisite site-selectivity, thus unlocking a new platform to introduce carbonyl isosteres at saturated hydrocarbon sites.

Biocatalytic Strategy for the Highly Stereoselective Synthesis of CHF2-Containing Trisubstituted Cyclopropanes

The difluoromethyl (CHF2) group has attracted significant attention in drug discovery and development efforts, owing to its ability to serve as fluorinated bioisostere of methyl, hydroxyl, and thiol groups. Herein, we report an efficient biocat

Photoredox/Hydrogen Atom Transfer Cocatalyzed C-H Difluoroallylation of Amides, Ethers, and Alkyl Aldehydes

Herein, we report a method that combines hydrogen atom transfer and photoredox catalysis to achieve the dehydrogenative difluoroallylation of amides, ethers, and alkyl aldehydes. This operationally convenient method transforms a broad scope of substrates into the corresponding gem-difluoroalkenes via the construction of C(sp3)-C(sp3) or C(sp3)-C(sp2) bonds. Excellent functional group compatibility and high selectivity make this method have a wide range of substrate types and render it suitable for late-stage modification of pharmaceutical intermediates.

Visible-Light-Driven Sulfonation of α-Trifluoromethylstyrenes: Access to Densely Functionalized CF3-Substituted Tertiary Alcohol

Reported herein is a visible-light-induced sulfonation of α-trifluoromethylstyrenes with sodium sulfinates, which provides a series of α-trifluoromethyl-β-sulfonyl tertiary alcohols. This new synthetic protocol is enabled by a charge-transfer complex between oxygen and sulfinates, featuring broad substrate scope and scalability. Excellent functional group compatibility and chemoselectivity render this method suitable for sulfonation of pharmaceutically relevant molecules. In the presence of D2O, deuteriotrifluorinated products were also obtained, further demonstrating the flexibility and synthetic potentials of this strategy.