2-(2-Fluoro-5-nitrophenyl)acetonitrile
CAS No.:
1000339-92-3
M. Wt:
180.13600
M. Fa:
C8H5FN2O2
InChI Key:
SQSDEFBOBWGPAS-UHFFFAOYSA-N
Names and Identifiers of 2-(2-Fluoro-5-nitrophenyl)acetonitrile
CAS Number |
1000339-92-3 |
|---|---|
MDL Number |
MFCD09864689 |
IUPAC Name |
2-(2-fluoro-5-nitrophenyl)acetonitrile |
InChI |
InChI=1S/C8H5FN2O2/c9-8-2-1-7(11(12)13)5-6(8)3-4-10/h1-2,5H,3H2 |
InChIKey |
SQSDEFBOBWGPAS-UHFFFAOYSA-N |
Canonical SMILES |
C1=CC(=C(C=C1[N+](=O)[O-])CC#N)F |
UNSPSC Code |
12352100 |
Physical and chemical properties of 2-(2-Fluoro-5-nitrophenyl)acetonitrile
Boiling Point |
334.7ºC at 760 mmHg |
|---|---|
Density |
1.367 g/cm3 |
Exact Mass |
180.03400 |
Flash Point |
156.2ºC |
H Bond Acceptors |
3 |
H Bond Donors |
0 |
LogP |
2.32318 |
Molecular Formula |
C8H5FN2O2 |
Molecular Weight |
180.13600 |
PSA |
69.61000 |
Safety Information of 2-(2-Fluoro-5-nitrophenyl)acetonitrile
Applications of 2-(2-Fluoro-5-nitrophenyl)acetonitrile
The applications of 2-(2-Fluoro-5-nitrophenyl)acetonitrile span several fields:
- Pharmaceuticals: It serves as an intermediate in the synthesis of pharmaceutical compounds due to its potential biological activity.
- Material Science: Used in developing advanced materials that require specific electronic or optical properties.
- Chemical Research: Acts as a reagent in various organic synthesis reactions and methodologies.
Interaction Studies of 2-(2-Fluoro-5-nitrophenyl)acetonitrile
Studies on similar compounds suggest that 2-(2-Fluoro-5-nitrophenyl)acetonitrile may interact with biological macromolecules like proteins and nucleic acids. These interactions could lead to alterations in enzyme activity or DNA binding, which are crucial for understanding its biological implications.
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