6-Bromo-2,3-difluorobenzotrifluoride

Basic Information

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CAS Number

1242339-23-6

Molecular Formula

C7H2BrF5

Molecular Weight

260.99 g/mol

Chemical Classification

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

SMILES

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

InChI

InChI=1S/C7H2BrF5/c8-3-1-2-4(9)6(10)5(3)7(11,12)13/h1-2H

InChIKey

DKRBFARXIWUPMN-UHFFFAOYSA-N

LogP

3.7461

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

180

Synonyms & References

English

3,4-Difluoro-2-trifluoromethyl-bromobenzene
1-bromo-3,4-difluoro-2-(trifluoromethyl)benzene
CS-0157212
6-Bromo-2,3-difluorobenzotrifluoride
SY237218
DB-228445
AKOS025211654
D86113
SCHEMBL17222991
MFCD16817691
1242339-23-6
FS-4644

MDL Number

MFCD16817691

FAQ

What are the physical and chemical properties of 6-Bromo-2,3-difluorobenzotrifluoride (CAS: 1242339-23-6)?

6-Bromo-2,3-difluorobenzotrifluoride (CAS: 1242339-23-6) is a crystalline compound with a molecular weight of approximately 338.02 g/mol. It has poor solubility in water but is soluble in organic solvents like dichloromethane and acetonitrile. Chemically, it is highly reactive due to the presence of fluorine atoms, which can participate in electrophilic substitution reactions. It is typically used in organic synthesis and as a precursor in materials science.

How is 6-Bromo-2,3-difluorobenzotrifluoride (CAS: 1242339-23-6) typically synthesized?

6-Bromo-2,3-difluorobenzotrifluoride (CAS: 1242339-23-6) can be synthesized via the reaction of 2,3-difluorobenzotrifluoride with bromine in the presence of a suitable base like sodium hydroxide. The reaction is carried out in a solvent such as acetonitrile. The yield is typically high, and the product can be isolated by filtration and recrystallization.

What industries use 6-Bromo-2,3-difluorobenzotrifluoride (CAS: 1242339-23-6)?

6-Bromo-2,3-difluorobenzotrifluoride (CAS: 1242339-23-6) is primarily used in the pharmaceutical industry for the synthesis of complex organic molecules, particularly in the development of new drugs. It also finds applications in the polymer industry, where it can be used as a monomer, and in the semiconductor industry as a precursor for the fabrication of electronic devices.

What precautions should be taken when handling 6-Bromo-2,3-difluorobenzotrifluoride (CAS: 1242339-23-6)?

When handling 6-Bromo-2,3-difluorobenzotrifluoride (CAS: 1242339-23-6), it is essential to wear appropriate personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat. The substance should be handled in a fume hood to minimize exposure. Spills should be immediately cleaned up using a suitable absorbent material. Always refer to the Safety Data Sheet (SDS) for detailed handling and emergency procedures.