2,5-Difluoro-4-methylbenzonitrile
CAS No.:
1003708-66-4
M. Wt:
153.129
M. Fa:
C8H5F2N
InChI Key:
JPNDTPNCYOHHFX-UHFFFAOYSA-N
Appearance:
Solid
Names and Identifiers of 2,5-Difluoro-4-methylbenzonitrile
CAS Number |
1003708-66-4 |
|---|---|
MDL Number |
MFCD09996933 |
IUPAC Name |
2,5-difluoro-4-methylbenzonitrile |
InChI |
InChI=1S/C8H5F2N/c1-5-2-8(10)6(4-11)3-7(5)9/h2-3H,1H3 |
InChIKey |
JPNDTPNCYOHHFX-UHFFFAOYSA-N |
Canonical SMILES |
CC1=CC(=C(C=C1F)C#N)F |
UNSPSC Code |
12352100 |
Physical and chemical properties of 2,5-Difluoro-4-methylbenzonitrile
Boiling Point |
215.5±35.0 °C at 760 mmHg |
|---|---|
Density |
1.2±0.1 g/cm3 |
Exact Mass |
153.039001 |
Flash Point |
84.1±25.9 °C |
Index of Refraction |
1.487 |
LogP |
1.85 |
Melting Point |
58 to 61°C |
Molecular Formula |
C8H5F2N |
Molecular Weight |
153.129 |
PSA |
23.79000 |
Storage condition |
Sealed in dry,Room Temperature |
Vapour Pressure |
0.1±0.4 mmHg at 25°C |
Safety Information of 2,5-Difluoro-4-methylbenzonitrile
Applications of 2,5-Difluoro-4-methylbenzonitrile
2,5-Difluoro-4-methylbenzonitrile has diverse applications across various fields:
- Chemical Industry: It serves as an intermediate in the synthesis of complex organic molecules.
- Pharmaceutical Research: The compound is studied for its potential use in drug development due to its unique chemical properties.
- Material Science: It is utilized in producing specialty chemicals and materials, particularly in applications requiring specific electronic or optical properties.
Interaction Studies of 2,5-Difluoro-4-methylbenzonitrile
Studies focusing on the interactions of 2,5-Difluoro-4-methylbenzonitrile with biological systems are ongoing. These investigations aim to elucidate how the compound's structure influences its binding affinity to proteins and enzymes. The presence of fluorine atoms may enhance stability and reactivity, potentially affecting metabolic pathways in living organisms.
Physical sample testing spectrum (NMR) of 2,5-Difluoro-4-methylbenzonitrile
