structure of 2-Bromo-1-chloro-3,4,5-trifluorobenzene

2-Bromo-1-chloro-3,4,5-trifluorobenzene

CAS No.: 1000577-28-5
M. Wt: 245.424
M. Fa: C6HBrClF3
InChI Key: IDWJHPHIYHBSKA-UHFFFAOYSA-N

Names and Identifiers of 2-Bromo-1-chloro-3,4,5-trifluorobenzene

CAS Number

1000577-28-5

MDL Number

MFCD09800795

IUPAC Name

2-bromo-1-chloro-3,4,5-trifluorobenzene

InChI

InChI=1S/C6HBrClF3/c7-4-2(8)1-3(9)5(10)6(4)11/h1H

InChIKey

IDWJHPHIYHBSKA-UHFFFAOYSA-N

Canonical SMILES

C1=C(C(=C(C(=C1Cl)Br)F)F)F

UNSPSC Code

12352100

Physical and chemical properties of 2-Bromo-1-chloro-3,4,5-trifluorobenzene

Boiling Point

186.9±35.0 °C at 760 mmHg

Density

1.9±0.1 g/cm3

Exact Mass

243.890213

Flash Point

66.8±25.9 °C

Index of Refraction

1.508

LogP

2.41

Molecular Formula

C6HBrClF3

Molecular Weight

245.424

Vapour Pressure

0.9±0.3 mmHg at 25°C

Safety Information of 2-Bromo-1-chloro-3,4,5-trifluorobenzene

Pictograms

Signal Word

 Warning

Safety Data Sheet
Supports customized editing of SDS information and downloading in PDF documents.

Applications of 2-Bromo-1-chloro-3,4,5-trifluorobenzene

2-Bromo-1-chloro-3,4,5-trifluorobenzene finds applications in various fields:

  • Pharmaceuticals: It serves as an intermediate in the synthesis of various pharmaceutical compounds due to its unique structural properties.
  • Agricultural Chemicals: Compounds with similar structures are often used in developing pesticides and herbicides.
  • Material Science: Used in the synthesis of advanced materials due to its unique electronic properties imparted by the trifluoromethyl groups.

Interaction Studies of 2-Bromo-1-chloro-3,4,5-trifluorobenzene

Interaction studies involving 2-Bromo-1-chloro-3,4,5-trifluorobenzene typically focus on its reactivity with biological molecules or its behavior in different chemical environments. Research indicates that halogenated compounds can influence enzyme activity and receptor binding due to their structural characteristics. Further studies are necessary to elucidate specific interactions with proteins or nucleic acids.