2D Chemical StructureDatabase ID 4601835
No renderable structure data available
SMILES
C1=CC(=CC=C1CC#N)N=C=OStructure data verified · Database ID 4601835
Chemical Intermediate
2-(4-isocyanatophenyl)acetonitrile
CAS 59513-89-2Product ID 465179
| Intermediates | 2-(4-isocyanatophenyl)acetonitrile |
|---|---|
| IUPAC Name | — |
| CAS Number | 59513-89-2 |
| Database ID | 4601835 |
| Molecular Formula | — |
| Molecular Weight | — |
Product Information
2-(4-isocyanatophenyl)acetonitrile
2-(4-isocyanatophenyl)acetonitrile (CAS 59513-89-2) product identity, structure identifiers and related reaction data for chemical intermediate research and sourcing review.
CAS Number59513-89-2
Database ID4601835
Molecular Formula—
Updated2023-01-08
Potential Applications
Potential Applications
For professional research and industrial use only
Database ID 4601835
Computed Properties
Exact Mass—
XLogP—
Topological Polar Surface Area—
Hydrogen Bond Donors—
Hydrogen Bond Acceptors—
Rotatable Bonds—
- IUPAC Name
- —
- InChIKey
- —
- SMILES
- C1=CC(=CC=C1CC#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 59513-89-22-(4-isocyanatophenyl)acetonitrile
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