structure of 5-(Bromomethyl)-2-chlorobenzonitrile

5-(Bromomethyl)-2-chlorobenzonitrile

CAS No.: 99613-64-6
M. Wt: 230.48900
M. Fa: C8H5BrClN
InChI Key: YHKXYWAZCJAGKK-UHFFFAOYSA-N
Appearance: Off white solid

Names and Identifiers of 5-(Bromomethyl)-2-chlorobenzonitrile

CAS Number

99613-64-6

IUPAC Name

5-(bromomethyl)-2-chlorobenzonitrile

InChI

InChI=1S/C8H5BrClN/c9-4-6-1-2-8(10)7(3-6)5-11/h1-3H,4H2

InChIKey

YHKXYWAZCJAGKK-UHFFFAOYSA-N

Canonical SMILES

C1=CC(=C(C=C1CBr)C#N)Cl

Physical and chemical properties of 5-(Bromomethyl)-2-chlorobenzonitrile

Exact Mass

228.92900

LogP

3.10658

Molecular Formula

C8H5BrClN

Molecular Weight

230.48900

PSA

23.79000

Safety Information of 5-(Bromomethyl)-2-chlorobenzonitrile

Pictograms

Signal Word

 Danger

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

Applications of 5-(Bromomethyl)-2-chlorobenzonitrile

5-(Bromomethyl)-2-chlorobenzonitrile serves several important functions:

  • Intermediate in Organic Synthesis: It is utilized as a building block in the synthesis of more complex organic molecules due to its reactivity.
  • Modification of Biomolecules: The compound can be used to covalently attach functional groups to proteins or nucleic acids.
  • Industrial

Interaction Studies of 5-(Bromomethyl)-2-chlorobenzonitrile

The interactions of 5-(Bromomethyl)-2-chlorobenzonitrile with various nucleophiles have been studied, revealing its potential for forming diverse derivatives. These interactions are crucial for exploring new chemical pathways and developing novel compounds with enhanced biological activities or specific functionalities. The reactivity of the bromomethyl group allows it to engage in nucleophilic substitution reactions effectively.

Biological Activity of 5-(Bromomethyl)-2-chlorobenzonitrile

While specific biological activities of 5-(Bromomethyl)-2-chlorobenzonitrile are not extensively documented, compounds with similar structures often exhibit significant biological properties. The presence of halogen substituents can enhance lipophilicity and biological activity, making this compound a candidate for further investigation in drug development and medicinal chemistry. Its ability to modify biomolecules through covalent attachment may also suggest potential therapeutic applications.

Physical sample testing spectrum (NMR) of 5-(Bromomethyl)-2-chlorobenzonitrile

Physical sample testing spectrum (NMR) of 5-(Bromomethyl)-2-chlorobenzonitrile

Retrosynthesis analysis of 5-(Bromomethyl)-2-chlorobenzonitrile

  • Route#1

    Cas:4387-32-0
    Cas:99613-64-6