structure of 1-Bromo-3-chloro-5-(difluoromethoxy)benzene

1-Bromo-3-chloro-5-(difluoromethoxy)benzene

CAS No.: 1004112-67-7
M. Wt: 257.46000
M. Fa: C7H4BrClF2O
InChI Key: IVRGKKXJURVLGX-UHFFFAOYSA-N
Appearance: Colorless Liquid

Names and Identifiers of 1004112-67-7

CAS Number

1004112-67-7

EC Number

600-092-8

MDL Number

MFCD18390894

IUPAC Name

1-bromo-3-chloro-5-(difluoromethoxy)benzene

InChI

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

InChIKey

IVRGKKXJURVLGX-UHFFFAOYSA-N

Canonical SMILES

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

UNSPSC Code

12352100

Physical and chemical properties of 1004112-67-7

Exact Mass

255.91000

LogP

3.70390

Molecular Formula

C7H4BrClF2O

Molecular Weight

257.46000

PSA

9.23000

Storage condition

2-8°C

Safety Information of 1004112-67-7

Pictograms

Signal Word

Warning

Safety Data Sheet

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

Applications of 1004112-67-7

1-Bromo-3-chloro-5-(difluoromethoxy)benzene is primarily used in:

  • Organic Synthesis: As an intermediate for creating complex organic molecules.
  • Pharmaceutical Development: Potential precursor for drug candidates due to its unique structural features.
  • Agrochemical Formulations: It may serve as a building block for developing herbicides or pesticides.

Biological Activity of 1004112-67-7

While specific biological activities of 1-bromo-3-chloro-5-(difluoromethoxy)benzene are not extensively documented, halogenated aromatic compounds often exhibit significant biological interactions. They can serve as potential pharmaceuticals or agrochemicals due to their ability to interact with biological targets. Further studies would be necessary to elucidate any specific pharmacological properties or toxicological profiles associated with this compound.

Physical sample testing spectrum (NMR) of 1004112-67-7

Physical sample testing spectrum (NMR) of 1004112-67-7

Retrosynthesis analysis of 1004112-67-7

  • Route#1

    Cas:930836-30-9
    Cas:56962-04-0
    Cas:1004112-67-7