structure of 3,5-diformylbenzonitrile

3,5-diformylbenzonitrile

CAS No.: 1000342-20-0
M. Wt: 159.14100
M. Fa: C9H5NO2
InChI Key: ILAZMCGIHCEBEB-UHFFFAOYSA-N

Names and Identifiers of 3,5-diformylbenzonitrile

CAS Number

1000342-20-0

MDL Number

MFCD08690084

IUPAC Name

3,5-diformylbenzonitrile

InChI

InChI=1S/C9H5NO2/c10-4-7-1-8(5-11)3-9(2-7)6-12/h1-3,5-6H

InChIKey

ILAZMCGIHCEBEB-UHFFFAOYSA-N

Canonical SMILES

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

UNSPSC Code

12352100

Physical and chemical properties of 3,5-diformylbenzonitrile

Exact Mass

159.03200

H Bond Acceptors

3

H Bond Donors

0

LogP

1.18328

Molecular Formula

C9H5NO2

Molecular Weight

159.14100

PSA

57.93000

Safety Information of 3,5-diformylbenzonitrile

Pictograms

Signal Word

 Warning

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

Applications of 3,5-diformylbenzonitrile

5-Cyanoisophthalaldehyde has potential applications in various fields:

  • Organic Synthesis: It serves as an intermediate for synthesizing more complex organic molecules, particularly in the development of pharmaceuticals and agrochemicals.
  • Material Science: The compound can be used in the production of polymers or resins due to its functional groups that facilitate cross-linking.
  • Fluorescent Dyes: Its unique structure may allow it to be utilized in developing fluorescent probes for biological imaging.

Biological Activity of 3,5-diformylbenzonitrile

Research on the biological activity of 5-Cyanoisophthalaldehyde is limited, but compounds with similar structures often exhibit biological properties such as antimicrobial and anticancer activities. The presence of both cyano and aldehyde functional groups may contribute to interactions with biological targets, although specific studies on this compound are needed to confirm its efficacy and mechanisms of action.