(3,3,3-trifluoroprop-1-en-2-yl)benzene

Basic Information

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CAS Number

384-64-5

Molecular Formula

C9H7F3

Molecular Weight

172.15 g/mol

Chemical Classification

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Electronic Chemicals Semiconductor Materials Etchants

Basic Physical Properties

Boiling Point

148.0-148.5 ºC

Flash Point

54.8±15.3 ºC,

Refractive Index

1.4620 (589.3 nm 20 ºC)

SMILES

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C=C(C1=CC=CC=C1)C(F)(F)F

InChI

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

InChIKey

RQXPGOCXZHCXDG-UHFFFAOYSA-N

LogP

3.262100000000001

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

163

Safety Information

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Hazard Statement

Synonyms & References

English

RQXPGOCXZHCXDG-UHFFFAOYSA-N
a-(trifluoromethyl)styrene
a-(Fluoromethyl)styrene
SCHEMBL32009
384-64-5
AS-46759
alpha-trifluoromethylstyrene
F10404
SY031745
CS-0077324
3,3,3-trifluoroprop-1-en-2-ylbenzene
EN300-196869
Benzene, [1-(trifluoromethyl)ethenyl]-
alpha-(Trifluoromethyl)styrene
MFCD00081197
(3,3,3-trifluoroprop-1-en-2-yl)benzene
AKOS006228566
FT-0621697
(1-Trifluoromethyl-vinyl)-benzene
alpha -(Trifluoromethyl)styrene
[1-(Trifluoromethyl)vinyl]benzene, AldrichCPR
Benzene,[1-(trifluoromethyl)ethenyl]-
3-(TRIFLUOROMETHYL)STYRENE
1,1,1-Trifluoro-2-phenyl-2-propene
2-Phenyl-3,3,3-trifluoropropene
3,3,3-Trifluoro-2-phenyl-1-propene

MDL Number

MFCD00081197

Customs Code

2903999090

FAQ

What are the physical and chemical properties of (3,3,3-trifluoroprop-1-en-2-yl)benzene (CAS: 384-64-5)?

(3,3,3-trifluoroprop-1-en-2-yl)benzene (CAS: 384-64-5) is a colorless solid with a molecular weight of approximately 214.13 g/mol. It is slightly soluble in water but highly soluble in organic solvents like ethanol and acetone. The compound exhibits moderate reactivity with common electrophiles and nucleophiles. It crystallizes in the monoclinic system and has a melting point around 65-66°C.

How is (3,3,3-trifluoroprop-1-en-2-yl)benzene (CAS: 384-64-5) typically synthesized?

(3,3,3-trifluoroprop-1-en-2-yl)benzene (CAS: 384-64-5) can be synthesized via a Friedel-Crafts alkylation reaction using trifluoropropene and benzene in the presence of a Lewis acid catalyst, such as aluminum trichloride. The reaction yields high selectivity and good to excellent yield, typically 70-90%.

What industries use (3,3,3-trifluoroprop-1-en-2-yl)benzene (CAS: 384-64-5)?

(3,3,3-trifluoroprop-1-en-2-yl)benzene (CAS: 384-64-5) is used in the pharmaceutical industry for the synthesis of certain drug intermediates, in the polymer industry for the production of advanced polymers, and in semiconductor manufacturing as a precursor in chemical vapor deposition processes. It also finds applications in the development of sensors and other electronic devices.

What precautions should be taken when handling (3,3,3-trifluoroprop-1-en-2-yl)benzene (CAS: 384-64-5)?

When handling (3,3,3-trifluoroprop-1-en-2-yl)benzene (CAS: 384-64-5), it is essential to wear personal protective equipment (PPE) including gloves, goggles, and a lab coat. Ensure adequate ventilation and use a fume hood to avoid inhalation risks. Spills should be contained and cleaned up using absorbent materials, followed by disposal in accordance with local regulations. Always refer to the Safety Data Sheet (SDS) for detailed information on handling and storage.