5-Bromo-1,2-dimethyl-3-(trifluoromethyl)benzene | CAS No. 80245-29-0

5-Bromo-1,2-dimethyl-3-(trifluoromethyl)benzene

Basic Information

CAS Number

80245-29-0

Molecular Formula

C9H8BrF3

Molecular Weight

253.06 g/mol

AD

Basic Physical Properties

Cc1cc(cc(c1C)C(F)(F)F)Br

InChI

InChI=1S/C9H8BrF3/c1-5-3-7(10)4-8(6(5)2)9(11,12)13/h3-4H,1-2H3

InChIKey

AINASRYWSBKQSE-UHFFFAOYSA-N

LogP

4.084740000000002

Topological Polar Surface Area

0.0 Ų

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

178

Synonyms & References

English

  • 5-bromo-1,2-dimethyl-3-(trifluoromethyl)benzene
  • SY045815

MDL Number

MFCD29044867

FAQ

What are the physical and chemical properties of 5-Bromo-1,2-dimethyl-3-(trifluoromethyl)benzene (CAS: 80245-29-0)?

5-Bromo-1,2-dimethyl-3-(trifluoromethyl)benzene is a white crystalline solid with a molecular weight of approximately 267.04 g/mol. It has a low solubility in water but is soluble in common organic solvents like dichloromethane and acetonitrile. Chemically, it is stable under normal conditions but can undergo substitution reactions, especially with nucleophiles at the brominated site.

How is 5-Bromo-1,2-dimethyl-3-(trifluoromethyl)benzene (CAS: 80245-29-0) typically synthesized?

5-Bromo-1,2-dimethyl-3-(trifluoromethyl)benzene is synthesized through a Friedel-Crafts alkylation of 1,2-dimethyl-3-(trifluoromethyl)benzene with N-bromosuccinimide (NBS) in the presence of a radical initiator like benzoyl peroxide. The reaction is typically performed at room temperature and provides good selectivity and yield.

What industries use 5-Bromo-1,2-dimethyl-3-(trifluoromethyl)benzene (CAS: 80245-29-0)?

5-Bromo-1,2-dimethyl-3-(trifluoromethyl)benzene is primarily used in the pharmaceutical industry for the synthesis of various brominated compounds, which are used as intermediates in the production of drugs. It is also utilized in polymer science for the development of high-performance materials and in the electronics industry for the fabrication of semiconductor devices.

What precautions should be taken when handling 5-Bromo-1,2-dimethyl-3-(trifluoromethyl)benzene (CAS: 80245-29-0)?

When handling 5-Bromo-1,2-dimethyl-3-(trifluoromethyl)benzene, it is important to wear appropriate personal protective equipment (PPE), such as gloves, goggles, and a lab coat. Work should be conducted in a fume hood to minimize inhalation risks. Spills should be cleaned up using absorbent materials, and the area should be thoroughly ventilated. Always refer to the Safety Data Sheet (SDS) for detailed handling and emergency procedures.

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