structure of 4-(bromomethyl)-2-methylbenzonitrile

4-(bromomethyl)-2-methylbenzonitrile

CAS No.: 1001055-64-6
M. Wt: 210.07100
M. Fa: C9H8BrN
InChI Key: -

Names and Identifiers of 4-(bromomethyl)-2-methylbenzonitrile

CAS Number

1001055-64-6

IUPAC Name

4-(bromomethyl)-2-methyl-benzenecarbonitrile

Canonical SMILES

CC1=C(C=CC(=C1)CBr)C#N

Physical and chemical properties of 4-(bromomethyl)-2-methylbenzonitrile

Exact Mass

208.98400

LogP

2.76158

Molecular Formula

C9H8BrN

Molecular Weight

210.07100

PSA

23.79000

Safety Information of 4-(bromomethyl)-2-methylbenzonitrile

Pictograms

Signal Word

 Danger

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

Applications of 4-(bromomethyl)-2-methylbenzonitrile

4-(Bromomethyl)-2-methylbenzonitrile has several applications:

  • Intermediate in Organic Synthesis: It serves as a key intermediate in synthesizing pharmaceuticals and agrochemicals.
  • Material Science: The compound may be used in developing new materials due to its unique chemical properties.
  • Research Tool: It can act as a reagent in various

Interaction Studies of 4-(bromomethyl)-2-methylbenzonitrile

Interaction studies involving 4-(Bromomethyl)-2-methylbenzonitrile focus on its reactivity with biological macromolecules and other small molecules. Preliminary data suggest that it may interact with cytochrome P450 enzymes, influencing drug metabolism pathways. This interaction could have implications for pharmacokinetics and toxicity profiles of related compounds.

Retrosynthesis analysis of 4-(bromomethyl)-2-methylbenzonitrile

  • Route#1

    Cas:943846-12-6
    Cas:1001055-64-6