structure of 2,5-Difluoro-3-methylbenzonitrile

2,5-Difluoro-3-methylbenzonitrile

CAS No.: 1003712-20-6
M. Wt: 153.129
M. Fa: C8H5F2N
InChI Key: GOCHUEANXRBERE-UHFFFAOYSA-N
Appearance: White to Yellow Solid

Names and Identifiers of 2,5-Difluoro-3-methylbenzonitrile

CAS Number

1003712-20-6

MDL Number

MFCD09996954

IUPAC Name

2,5-difluoro-3-methylbenzonitrile

InChI

InChI=1S/C8H5F2N/c1-5-2-7(9)3-6(4-11)8(5)10/h2-3H,1H3

InChIKey

GOCHUEANXRBERE-UHFFFAOYSA-N

Canonical SMILES

CC1=CC(=CC(=C1F)C#N)F

UNSPSC Code

12352100

Physical and chemical properties of 2,5-Difluoro-3-methylbenzonitrile

Boiling Point

211.1±35.0 °C at 760 mmHg

Density

1.2±0.1 g/cm3

Exact Mass

153.039001

Flash Point

81.5±25.9 °C

Index of Refraction

1.487

LogP

1.85

Molecular Formula

C8H5F2N

Molecular Weight

153.129

PSA

23.79000

Storage condition

Sealed in dry,Room Temperature

Vapour Pressure

0.2±0.4 mmHg at 25°C

Safety Information of 2,5-Difluoro-3-methylbenzonitrile

Pictograms

Signal Word

 Warning

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

Applications of 2,5-Difluoro-3-methylbenzonitrile

2,5-Difluoro-3-methylbenzonitrile has several applications across various fields:

  • Organic Synthesis: Serves as a building block for more complex organic molecules.
  • Medicinal Chemistry: Explored for potential drug development applications.
  • Specialty Chemicals Production: Used in the manufacture of various specialty chemicals and materials.

Interaction Studies of 2,5-Difluoro-3-methylbenzonitrile

Studies on the interactions of 2,5-difluoro-3-methylbenzonitrile with biological systems are ongoing. Initial findings indicate that it may interact with specific enzymes or receptors, potentially influencing biochemical pathways. Further research is needed to explore these interactions in detail and assess their implications for therapeutic applications.

Biological Activity of 2,5-Difluoro-3-methylbenzonitrile

Research into the biological activity of 2,5-difluoro-3-methylbenzonitrile suggests potential interactions with various biomolecules. Its structural characteristics may allow it to function as a pharmacophore in drug design, although specific biological assays are necessary to fully elucidate its effects and efficacy.

Physical sample testing spectrum (NMR) of 2,5-Difluoro-3-methylbenzonitrile

Physical sample testing spectrum (NMR) of 2,5-Difluoro-3-methylbenzonitrile