structure of 4-Bromo-1-chloro-2-(difluoromethoxy)benzene

4-Bromo-1-chloro-2-(difluoromethoxy)benzene

CAS No.: 1000575-20-1
M. Wt: 257.46000
M. Fa: C7H4BrClF2O
InChI Key: NGPWNGKVKQXTBJ-UHFFFAOYSA-N
Appearance: Colorless Liquid

Names and Identifiers of 1000575-20-1

CAS Number

1000575-20-1

MDL Number

MFCD09878214

IUPAC Name

4-bromo-1-chloro-2-(difluoromethoxy)benzene

InChI

InChI=1S/C7H4BrClF2O/c8-4-1-2-5(9)6(3-4)12-7(10)11/h1-3,7H

InChIKey

NGPWNGKVKQXTBJ-UHFFFAOYSA-N

Canonical SMILES

C1=CC(=C(C=C1Br)OC(F)F)Cl

UNSPSC Code

12352100

Physical and chemical properties of 1000575-20-1

Exact Mass

255.91000

LogP

3.70390

Molecular Formula

C7H4BrClF2O

Molecular Weight

257.46000

PSA

9.23000

Storage condition

Store at room temperature

Safety Information of 1000575-20-1

Pictograms

Signal Word

Warning

Safety Data Sheet

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

Applications of 1000575-20-1

4-Bromo-1-chloro-2-(difluoromethoxy)benzene has several applications across different fields:

  • Chemistry: Serves as an intermediate in synthesizing more complex organic molecules.
  • Biology: Used in studies related to enzyme inhibition and protein interactions.
  • Medicine: Investigated for potential use in drug development.
  • Industry: Employed in producing agrochemicals and specialty chemicals.

Interaction Studies of 1000575-20-1

The interaction of 4-Bromo-1-chloro-2-(difluoromethoxy)benzene with various molecular targets has been a subject of study. Its ability to inhibit or activate specific enzymes suggests that it may influence biochemical pathways significantly. Understanding these interactions is crucial for optimizing its application in therapeutic contexts.

Biological Activity of 1000575-20-1

Research indicates that 4-Bromo-1-chloro-2-(difluoromethoxy)benzene exhibits biological activity that may be relevant in pharmacology. It has been investigated for its potential role in enzyme inhibition and protein-ligand interactions. These properties suggest its usefulness in drug development, particularly as a pharmacophore in compounds targeting specific biological pathways.

Physical sample testing spectrum (NMR) of 1000575-20-1

Physical sample testing spectrum (NMR) of 1000575-20-1