Terephthalonitrile N,N'-dioxide
[4-(oxidoiminomethylidene)cyclohexa-2,5-dien-1-ylidene]methylidene-oxoazanium
Also Known As: Terephthalonitrile N,N'-dioxide|1,4-Benzenedicarbonitrile NN'-dioxide|Benzene-1,4-dicarbonitrile Oxide|1,4-Dicyanobenzene di-N-oxide|Terephthalonitrile NN'-Dioxide|1,4-Benzenedicarbonitrile oxide|2-Chloro-3,8-dimethylquinoline|1,4-Benzenebis(carbonitrile oxide)|FR-2048|{4-[(oxo-lambda5-azanylidyne)methyl]phenyl}formonitrile oxide|J2.586.376C|1,4-Benzenedicarbonitrile,N,N'-dioxide (9CI)|1,4-BENZENEDICARBONITRILE NN'-DIOXIDE|TEREPHTHALONITRILE NN'-DIOXIDE ---WHITE POWDER---|{4-[(oxo-$l^{5}-azanylidyne)methyl]phenyl}formonitrile oxide|[({4-[(Oxoiminio)methylidene]cyclohexa-2,5-dien-1-ylidene}methylidene)amino]oxidanide|[4-(oxidoiminomethylidene)cyclohexa-2,5-dien-1-ylidene]methylidene-oxoazanium
| Molecular Formula | C8H4N2O2 |
|---|---|
| Molecular Weight | 160.02728 g/mol |
| LogP | -1.2994 |
| Topological Polar Surface Area | 53.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 160.02728 |
| Monoisotopic Mass | 160.02728 |
| Heavy Atoms | 12 |
| Complexity | 332.0 |
Chemical Identifiers
| CAS Number | 3729-34-8 |
|---|---|
| SMILES | C1=CC(=C=[N+]=O)C=CC1=C=N[O-] |
| InChIKey | JRVRIUGIFUNROE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Terephthalonitrile N,N'-dioxide (CAS 3729-34-8), with molecular formula C8H4N2O2 and molecular weight 160.02728 g/mol. IUPAC: [4-(oxidoiminomethylidene)cyclohexa-2,5-dien-1-ylidene]methylidene-oxoazanium.
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