structure of 2-Bromo-3-fluorobenzoyl chloride

2-Bromo-3-fluorobenzoyl chloride

CAS No.: 1000339-91-2
M. Wt: 237.45400
M. Fa: C7H3BrClFO
InChI Key: BIDXHLMXMWMYJC-UHFFFAOYSA-N
Appearance: Low Melting Solid

Names and Identifiers of 2-Bromo-3-fluorobenzoyl chloride

CAS Number

1000339-91-2

MDL Number

MFCD09864686

IUPAC Name

2-bromo-3-fluorobenzoyl chloride

InChI

InChI=1S/C7H3BrClFO/c8-6-4(7(9)11)2-1-3-5(6)10/h1-3H

InChIKey

BIDXHLMXMWMYJC-UHFFFAOYSA-N

Canonical SMILES

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

UNSPSC Code

12352100

Physical and chemical properties of 2-Bromo-3-fluorobenzoyl chloride

Exact Mass

235.90400

LogP

2.96720

Molecular Formula

C7H3BrClFO

Molecular Weight

237.45400

PSA

17.07000

Safety Information of 2-Bromo-3-fluorobenzoyl chloride

Pictograms

Signal Word

Danger

Safety Data Sheet

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

Applications of 2-Bromo-3-fluorobenzoyl chloride

2-Bromo-3-fluorobenzoyl chloride finds applications in various fields:

  • Pharmaceutical intermediates: The compound serves as a building block in the synthesis of potential drug candidates, particularly those requiring halogenated aromatic moieties.
  • Agrochemical synthesis: It can be used in the preparation of novel pesticides and herbicides.
  • Material science: The compound may be employed in the development of specialty polymers and advanced materials.
  • Organic synthesis: As a versatile reagent, it is utilized in the preparation of complex organic molecules and natural product analogues.

Interaction Studies of 2-Bromo-3-fluorobenzoyl chloride

While specific interaction studies for 2-Bromo-3-fluorobenzoyl chloride are not readily available, similar compounds have been investigated for their interactions with various biological targets. The presence of halogen substituents can influence binding affinity and selectivity towards proteins and enzymes. Further research is needed to elucidate the specific interactions of this compound with biological systems.

Similar Compounds

Several compounds share structural similarities with 2-Bromo-3-fluorobenzoyl chloride:

  • 2-Bromo-3-chloro-5-fluorobenzoyl chloride: This compound has an additional chlorine substituent at the 5-position, potentially altering its reactivity and physical properties.
  • 2-Fluorobenzoyl chloride: Lacking the bromine substituent, this compound is structurally simpler but retains similar reactivity of the carbonyl chloride group.
  • 3-Fluorobenzoyl chloride: An isomer of 2-fluorobenzoyl chloride, with the fluorine in a different position on the aromatic ring.
  • 2-Bromobenzoyl chloride: This compound lacks the fluorine substituent but retains the bromine at the 2-position.

The uniqueness of 2-Bromo-3-fluorobenzoyl chloride lies in its specific substitution pattern, combining both bromine and fluorine on the aromatic ring. This arrangement can confer distinct electronic and steric properties, potentially influencing its reactivity and applications in organic synthesis and medicinal chemistry.

Biological Activity of 2-Bromo-3-fluorobenzoyl chloride

While specific biological activity data for 2-Bromo-3-fluorobenzoyl chloride is limited, compounds containing similar structural features have shown various biological effects. The presence of halogen substituents (bromine and fluorine) on the aromatic ring can influence the compound's lipophilicity and metabolic stability, potentially affecting its interactions with biological systems.

Retrosynthesis analysis of 2-Bromo-3-fluorobenzoyl chloride

  • Route#1

    Cas:132715-69-6
    Cas:1000339-91-2
  • Route#2

    Cas:825-22-9
    Cas:1000339-91-2
  • Route#3

    Cas:349-24-6
    Cas:1000339-91-2