2D Chemical StructureDatabase ID 170380
No renderable structure data available
SMILES
C1=CC(=CC=C1C#N)N=C=OStructure data verified · Database ID 170380
Chemical Intermediate
4-isocyanatobenzonitrile
CAS 40465-45-0Product ID 414870
| Intermediates | 4-isocyanatobenzonitrile |
|---|---|
| IUPAC Name | — |
| CAS Number | 40465-45-0 |
| Database ID | 170380 |
| Molecular Formula | — |
| Molecular Weight | — |
Product Information
4-isocyanatobenzonitrile
4-isocyanatobenzonitrile (CAS 40465-45-0) product identity, structure identifiers and related reaction data for chemical intermediate research and sourcing review.
CAS Number40465-45-0
Database ID170380
Molecular Formula—
Updated2023-01-08
Potential Applications
Potential Applications
For professional research and industrial use only
Database ID 170380
Computed Properties
Exact Mass—
XLogP—
Topological Polar Surface Area—
Hydrogen Bond Donors—
Hydrogen Bond Acceptors—
Rotatable Bonds—
- IUPAC Name
- —
- InChIKey
- —
- SMILES
- C1=CC(=CC=C1C#N)N=C=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 40465-45-04-isocyanatobenzonitrile
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