5-Chloro-2-isocyanatobenzonitrile
5-chloro-2-isocyanatobenzonitrile
Also Known As: 5-chloro-2-isocyanatobenzonitrile|Difluanazine|ACMC-209nly|4-Chloro-2-cyanophenylisocyanate|2-isocyanato-5-chlorobenzonitrile|Benzonitrile,5-chloro-2-isocyanato-|5-chloro-2-isocyanato-benzonitrile|Benzonitrile, 5-chloro-2-isocyanato-|862-134-3
CAS: 64411-72-9
| Molecular Formula | C8H3ClN2O |
|---|---|
| Molecular Weight | 177.9934 g/mol |
| LogP | 2.17898 |
| Topological Polar Surface Area | 53.22 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 177.9934 |
| Monoisotopic Mass | 177.9934 |
| Heavy Atoms | 12 |
| Complexity | 388.5346 |
Chemical Identifiers
| CAS Number | 64411-72-9 |
|---|---|
| SMILES | C1=CC(=C(C=C1Cl)C#N)N=C=O |
Product Overview
5-Chloro-2-isocyanatobenzonitrile (CAS 64411-72-9), with molecular formula C8H3ClN2O and molecular weight 177.9934 g/mol. IUPAC: 5-chloro-2-isocyanatobenzonitrile.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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