Terephthalonitrile N,N'-dioxide
CAS No.:
3729-34-8
M. Wt:
160.13000
M. Fa:
C8H4N2O2
InChI Key:
JRVRIUGIFUNROE-UHFFFAOYSA-N
Names and Identifiers of Terephthalonitrile N,N'-dioxide
CAS Number |
3729-34-8 |
|---|---|
MDL Number |
MFCD00077973 |
InChI |
InChI=1S/C8H4N2O2/c11-9-5-7-1-2-8(4-3-7)6-10-12/h1-4H |
InChIKey |
JRVRIUGIFUNROE-UHFFFAOYSA-N |
Canonical SMILES |
C1=CC(=C=[N+]=O)C=CC1=C=N[O-] |
UNSPSC Code |
12352100 |
Physical and chemical properties of Terephthalonitrile N,N'-dioxide
Density |
1.17g/cm3 |
|---|---|
Exact Mass |
160.02700 |
Index of Refraction |
1.567 |
LogP |
1.49696 |
Molecular Formula |
C8H4N2O2 |
Molecular Weight |
160.13000 |
PSA |
61.34000 |
Safety Information of Terephthalonitrile N,N'-dioxide
Applications of Terephthalonitrile N,N'-dioxide
Terephthalonitrile N,N'-dioxide finds applications in various fields:
- Organic Synthesis: It serves as an important intermediate in the synthesis of pharmaceuticals and agrochemicals due to its reactive nature.
- Materials Science: The compound is explored for its potential use in developing nitrogen-rich covalent organic frameworks (COFs), which are promising for applications in sensors and catalysis.
These applications underscore its significance in both chemical research and industrial processes.
Interaction Studies of Terephthalonitrile N,N'-dioxide
Research into the interaction studies of Terephthalonitrile N,N'-dioxide is limited but suggests that it can form complexes with other molecules, enhancing its utility in catalysis and material science. For instance, its ability to engage in radical formation can lead to diverse interactions with electrophiles and nucleophiles during synthetic processes.
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