2,4-Difluoro-1-(trifluoromethyl)benzene

Basic Information

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CAS Number

64248-61-9

Molecular Formula

C7H3F5

Molecular Weight

182.09 g/mol

Chemical Classification

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Electronic Chemicals Semiconductor Materials Etchants

Basic Physical Properties

Boiling Point

109.081 °C at 760 mmHg

Density

1.386

Flash Point

27.021 °C

SMILES

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C1=CC(=C(C=C1F)F)C(F)(F)F

InChI

InChI=1S/C7H3F5/c8-4-1-2-5(6(9)3-4)7(10,11)12/h1-3H

InChIKey

PQJOLFTWPSZESR-UHFFFAOYSA-N

LogP

2.9836

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

152

Synonyms & References

English

AS-18472
CS-W003218
J-507212
AC-4136
2,4-Difluorobenzotrifluoride
EN300-1699127
AKOS005064085
MFCD04972808
AC-4138
SCHEMBL4084187
DTXSID50559452
AM62059
Benzene, 2,4-difluoro-1-(trifluoromethyl)-
FT-0640935
SY031418
2,4-Difluoro-1-(trifluoromethyl)benzene
64248-61-9
2,4-Difluorobenztrifluoride
3,4-Difluorobenzotrifluoride

MDL Number

MFCD04972808

Customs Code

2903999090

FAQ

What are the physical and chemical properties of 2,4-Difluoro-1-(trifluoromethyl)benzene (CAS: 64248-61-9)?

2,4-Difluoro-1-(trifluoromethyl)benzene has a crystalline form and a molecular weight of approximately 242.05 g/mol. It is slightly soluble in water but soluble in common organic solvents. The compound exhibits moderate electronic reactivity and can participate in electrophilic aromatic substitution reactions. It also shows good thermal stability up to 200°C.

How is 2,4-Difluoro-1-(trifluoromethyl)benzene (CAS: 64248-61-9) typically synthesized?

2,4-Difluoro-1-(trifluoromethyl)benzene is typically synthesized through the Friedel-Crafts alkylation of 2,4-difluorotoluene using trifluoromethylating agents like trifluoromethyl sulfonic acid. This process involves the use of Lewis acids as catalysts and requires precise temperature control to achieve good selectivity and yield.

What industries use 2,4-Difluoro-1-(trifluoromethyl)benzene (CAS: 64248-61-9)?

2,4-Difluoro-1-(trifluoromethyl)benzene finds applications in the pharmaceutical industry for the synthesis of certain drugs, in polymer chemistry for the development of specialized resins, and in semiconductor manufacturing for etching processes. It is also used in the production of sensors due to its unique electronic properties.

What precautions should be taken when handling 2,4-Difluoro-1-(trifluoromethyl)benzene (CAS: 64248-61-9)?

When handling 2,4-Difluoro-1-(trifluoromethyl)benzene, care should be taken to use personal protective equipment (PPE) such as gloves, goggles, and a lab coat. It should be handled in a well-ventilated area or a fume hood to minimize inhalation risks. Spills should be cleaned up carefully, and the material safety data sheet (MSDS) should be consulted for specific disposal instructions. This compound is not flammable, but care must be taken due to its reactivity and potential for skin and eye irritation.