structure of 2,6-Dibromo-4-(trifluoromethoxy)iodobenzene

2,6-Dibromo-4-(trifluoromethoxy)iodobenzene

CAS No.: 1000578-22-2
M. Wt: 445.798
M. Fa: C7H2Br2F3IO
InChI Key: RDKDPUDNGOSEMG-UHFFFAOYSA-N

Names and Identifiers of 1000578-22-2

CAS Number

1000578-22-2

MDL Number

MFCD09878139

IUPAC Name

1,3-dibromo-2-iodo-5-(trifluoromethoxy)benzene

InChI

InChI=1S/C7H2Br2F3IO/c8-4-1-3(14-7(10,11)12)2-5(9)6(4)13/h1-2H

InChIKey

RDKDPUDNGOSEMG-UHFFFAOYSA-N

Canonical SMILES

FC(F)(F)OC1=CC(Br)=C(I)C(Br)=C1

UNSPSC Code

12352100

Physical and chemical properties of 1000578-22-2

Boiling Point

289.6±40.0 °C at 760 mmHg

Density

2.4±0.1 g/cm3

Exact Mass

443.746887

Flash Point

128.9±27.3 °C

Index of Refraction

1.584

LogP

5.99

Molecular Formula

C7H2Br2F3IO

Molecular Weight

445.798

Vapour Pressure

0.0±0.6 mmHg at 25°C

Safety Information of 1000578-22-2

Pictograms

Signal Word

 Warning

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

Applications of 1000578-22-2

2,6-Dibromo-4-(trifluoromethoxy)iodobenzene has several applications:

  • Chemical Research: Used as a reagent in organic synthesis for developing more complex molecules.
  • Biochemical Studies: Serves as a biochemical tool in proteomics research due to its unique structure and reactivity.
  • Material Science: Potentially utilized in developing functional materials due to its electronic properties.

Interaction Studies of 1000578-22-2

Studies on the interactions of 2,6-dibromo-4-(trifluoromethoxy)iodobenzene with various nucleophiles have indicated that the trifluoromethoxy group significantly influences its reactivity profile. The electron-withdrawing nature of this group enhances electrophilic substitution reactions while also stabilizing carbocation intermediates during nucleophilic attacks.