2D Chemical StructureDatabase ID 53399236
No renderable structure data available
SMILES
CC1=CC(=C(C(=C1)[N+](=O)[O-])C)C#NStructure data verified · Database ID 53399236
Chemical Intermediate
2,5-dimethyl-3-nitrobenzonitrile
CAS 625112-45-0Product ID 473815
| Intermediates | 2,5-dimethyl-3-nitrobenzonitrile |
|---|---|
| IUPAC Name | — |
| CAS Number | 625112-45-0 |
| Database ID | 53399236 |
| Molecular Formula | — |
| Molecular Weight | — |
Product Information
2,5-dimethyl-3-nitrobenzonitrile
2,5-dimethyl-3-nitrobenzonitrile (CAS 625112-45-0) product identity, structure identifiers and related reaction data for chemical intermediate research and sourcing review.
CAS Number625112-45-0
Database ID53399236
Molecular Formula—
Updated2023-01-08
Potential Applications
Potential Applications
For professional research and industrial use only
Database ID 53399236
Computed Properties
Exact Mass—
XLogP—
Topological Polar Surface Area—
Hydrogen Bond Donors—
Hydrogen Bond Acceptors—
Rotatable Bonds—
- IUPAC Name
- —
- InChIKey
- —
- SMILES
- CC1=CC(=C(C(=C1)[N+](=O)[O-])C)C#N
- InChI
- —
Safety Notice
Safety & Notes
For professional research and industrial use only. Review the supplier safety data sheet before handling.
PubChem References
Public References
These sources are listed in the compound's public database record.
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CAS 625112-45-02,5-dimethyl-3-nitrobenzonitrile
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