2D Chemical StructureDatabase ID 3462650
No renderable structure data available
SMILES
C1=CC=C(C(=C1)CCl)N=C=OStructure data verified · Database ID 3462650
Chemical Intermediate
1-(chloromethyl)-2-isocyanatobenzene
CAS 52986-66-0Product ID 445638
| Intermediates | 1-(chloromethyl)-2-isocyanatobenzene |
|---|---|
| IUPAC Name | — |
| CAS Number | 52986-66-0 |
| Database ID | 3462650 |
| Molecular Formula | — |
| Molecular Weight | — |
Product Information
1-(chloromethyl)-2-isocyanatobenzene
1-(chloromethyl)-2-isocyanatobenzene (CAS 52986-66-0) product identity, structure identifiers and related reaction data for chemical intermediate research and sourcing review.
CAS Number52986-66-0
Database ID3462650
Molecular Formula—
Updated2023-01-08
Potential Applications
Potential Applications
For professional research and industrial use only
Database ID 3462650
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)CCl)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 52986-66-01-(chloromethyl)-2-isocyanatobenzene
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