structure of Benzene, 1-bromo-3-(bromomethyl)-2-chloro-4-fluoro-

Benzene, 1-bromo-3-(bromomethyl)-2-chloro-4-fluoro-

CAS No.: 1003608-90-9
M. Wt: 302.37
M. Fa: C7H4Br2ClF
InChI Key: KWHHSJJVFHZARS-UHFFFAOYSA-N

Names and Identifiers of 1003608-90-9

CAS Number

1003608-90-9

IUPAC Name

1-bromo-3-(bromomethyl)-2-chloro-4-fluorobenzene

InChI

InChI=1S/C7H4Br2ClF/c8-3-4-6(11)2-1-5(9)7(4)10/h1-2H,3H2

InChIKey

KWHHSJJVFHZARS-UHFFFAOYSA-N

Canonical SMILES

FC1=CC=C(Br)C(Cl)=C1CBr

UNSPSC Code

12352100

Physical and chemical properties of 1003608-90-9

H Bond Acceptors

0

H Bond Donors

0

LogP

4.26148240533333

Molecular Formula

C7H4Br2ClF

Molecular Weight

302.37

Storage condition

2-8°C

Safety Information of 1003608-90-9

Pictograms

Signal Word

 Danger

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

Applications of 1003608-90-9

The applications of 1-bromo-3-bromomethyl-2-chloro-4-fluorobenzene are diverse:

  • Pharmaceutical Intermediates: It serves as a crucial building block for synthesizing active pharmaceutical ingredients (APIs), particularly in oncology.
  • Catalysts: The compound is used in the preparation of catalysts for peptide synthesis, demonstrating high catalytic efficiency.
  • Material Science: Its unique properties make it useful in developing advanced materials and polymers.

Interaction Studies of 1003608-90-9

Research on interaction studies involving 1-bromo-3-bromomethyl-2-chloro-4-fluorobenzene has focused on its reactivity patterns with various nucleophiles and electrophiles. These studies help elucidate its potential role as an intermediate in complex chemical syntheses and its biological implications when used as a precursor for pharmaceutical compounds.

Biological Activity of 1003608-90-9

The biological activity of 1-bromo-3-bromomethyl-2-chloro-4-fluorobenzene is primarily linked to its potential as an intermediate in the synthesis of pharmaceutical compounds. For example, derivatives of this compound have shown promise in the development of selective estrogen receptor degraders, which are being investigated for their efficacy in treating breast cancer. The compound's ability to modulate estrogen receptor activity highlights its significance in medicinal chemistry.

Physical sample testing spectrum (NMR) of 1003608-90-9

Physical sample testing spectrum (NMR) of 1003608-90-9

Retrosynthesis analysis of 1003608-90-9

  • Route#1

    Cas:203302-92-5
    Cas:1003608-90-9