4-Bromo-2-fluoro-6-(trifluoromethyl)aniline

Basic Information

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CAS Number

875664-46-3

Molecular Formula

C7H4BrF4N

Molecular Weight

258.01 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Amines

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

SMILES

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Nc1c(F)cc(Br)cc1C(F)(F)F

InChI

InChI=1S/C7H4BrF4N/c8-3-1-4(7(10,11)12)6(13)5(9)2-3/h1-2H,13H2

InChIKey

FWIDRROZQFRPCM-UHFFFAOYSA-N

LogP

3.1892000000000005

Topological Polar Surface Area

26.02 Å²

Hydrogen Bond Donor/Acceptor

2 / 1

Complexity

184

Safety Information

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Hazard Statement

Hazard Class

Class 6.1 Class 6.1

Synonyms & References

English

4-Bromo-2-fluoro-6-(trifluoromethyl)aniline
4-bromo-2-fluoro-6-(trifluoromethyl)aniline
4-Bromo-2-fluoro-6-(trifluoromethyl)benzenamine (ACI)

MDL Number

MFCD06660218

FAQ

What are the physical and chemical properties of 4-Bromo-2-fluoro-6-(trifluoromethyl)aniline (CAS: 875664-46-3)?

4-Bromo-2-fluoro-6-(trifluoromethyl)aniline is a crystalline solid with a molecular weight of approximately 335.03 g/mol. It has low water solubility and is highly reactive due to the presence of bromine, fluorine, and trifluoromethyl groups. The compound exhibits good thermal stability and can be used in various organic reactions.

How is 4-Bromo-2-fluoro-6-(trifluoromethyl)aniline (CAS: 875664-46-3) typically synthesized?

4-Bromo-2-fluoro-6-(trifluoromethyl)aniline is often synthesized via electrophilic aromatic substitution reactions using appropriate bromine and fluorine sources, trifluoromethylating agents, and appropriate catalysts. The yield and selectivity of the reaction can be optimized through careful control of reaction conditions and reactant molar ratios.

What industries use 4-Bromo-2-fluoro-6-(trifluoromethyl)aniline (CAS: 875664-46-3)?

4-Bromo-2-fluoro-6-(trifluoromethyl)aniline is used in the pharmaceutical industry for the synthesis of drug precursors and intermediates. It also finds applications in the polymer industry for the development of advanced materials, and in the semiconductor industry for the production of certain organic semiconductors.

What precautions should be taken when handling 4-Bromo-2-fluoro-6-(trifluoromethyl)aniline (CAS: 875664-46-3)?

When handling 4-Bromo-2-fluoro-6-(trifluoromethyl)aniline, it is essential to use personal protective equipment (PPE) including gloves, goggles, and a lab coat. Work should be conducted in a fume hood to minimize exposure. Spills should be cleaned up using appropriate absorbents and the material safety data sheet (MSDS) should be consulted for detailed spill procedures. Handling this compound requires careful attention due to its chemical reactivity and potential health hazards.