2D Chemical StructureDatabase ID 26598354
No renderable structure data available
SMILES
C1=CC(=C(C=C1C#N)Br)N=C=SStructure data verified · Database ID 26598354
Chemical Intermediate
3-bromo-4-isothiocyanatobenzonitrile
CAS 1000577-91-2Product ID 794
| Intermediates | 3-bromo-4-isothiocyanatobenzonitrile |
|---|---|
| IUPAC Name | — |
| CAS Number | 1000577-91-2 |
| Database ID | 26598354 |
| Molecular Formula | — |
| Molecular Weight | — |
Product Information
3-bromo-4-isothiocyanatobenzonitrile
3-bromo-4-isothiocyanatobenzonitrile (CAS 1000577-91-2) product identity, structure identifiers and related reaction data for chemical intermediate research and sourcing review.
CAS Number1000577-91-2
Database ID26598354
Molecular Formula—
Updated2023-01-08
Potential Applications
Potential Applications
For professional research and industrial use only
Database ID 26598354
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=C1C#N)Br)N=C=S
- 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 1000577-91-23-bromo-4-isothiocyanatobenzonitrile
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