2D Chemical StructureDatabase ID 12120518
No renderable structure data available
SMILES
C#CC1=CC(=C(C=C1)C#C)[N+](=O)[O-]Structure data verified · Database ID 12120518
Chemical Intermediate
1,4-diethynyl-2-nitrobenzene
CAS 113639-27-3Product ID 48012
| Intermediates | 1,4-diethynyl-2-nitrobenzene |
|---|---|
| IUPAC Name | — |
| CAS Number | 113639-27-3 |
| Database ID | 12120518 |
| Molecular Formula | — |
| Molecular Weight | — |
Product Information
1,4-diethynyl-2-nitrobenzene
1,4-diethynyl-2-nitrobenzene (CAS 113639-27-3) product identity, structure identifiers and related reaction data for chemical intermediate research and sourcing review.
CAS Number113639-27-3
Database ID12120518
Molecular Formula—
Updated2023-01-08
Potential Applications
Potential Applications
For professional research and industrial use only
Database ID 12120518
Computed Properties
Exact Mass—
XLogP—
Topological Polar Surface Area—
Hydrogen Bond Donors—
Hydrogen Bond Acceptors—
Rotatable Bonds—
- IUPAC Name
- —
- InChIKey
- —
- SMILES
- C#CC1=CC(=C(C=C1)C#C)[N+](=O)[O-]
- 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 113639-27-31,4-diethynyl-2-nitrobenzene
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