2D Chemical StructureDatabase ID 71306479
No renderable structure data available
SMILES
C1=CC(=C(C(=C1)[N+](=O)[O-])C#N)C(F)(F)FStructure data verified · Database ID 71306479
Chemical Intermediate
2-nitro-6-(trifluoromethyl)benzonitrile
CAS 1227581-80-7Product ID 97149
| Intermediates | 2-nitro-6-(trifluoromethyl)benzonitrile |
|---|---|
| IUPAC Name | — |
| CAS Number | 1227581-80-7 |
| Database ID | 71306479 |
| Molecular Formula | — |
| Molecular Weight | — |
Product Information
2-nitro-6-(trifluoromethyl)benzonitrile
2-nitro-6-(trifluoromethyl)benzonitrile (CAS 1227581-80-7) product identity, structure identifiers and related reaction data for chemical intermediate research and sourcing review.
CAS Number1227581-80-7
Database ID71306479
Molecular Formula—
Updated2023-01-08
Potential Applications
Potential Applications
For professional research and industrial use only
Database ID 71306479
Computed Properties
Exact Mass—
XLogP—
Topological Polar Surface Area—
Hydrogen Bond Donors—
Hydrogen Bond Acceptors—
Rotatable Bonds—
- IUPAC Name
- —
- InChIKey
- —
- SMILES
- C1=CC(=C(C(=C1)[N+](=O)[O-])C#N)C(F)(F)F
- 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 1227581-80-72-nitro-6-(trifluoromethyl)benzonitrile
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