Benzonitrile, 4-(acetyloxy)-3-iodo-5-nitro-
(4-cyano-2-iodo-6-nitrophenyl) acetate
Also Known As: 4-cyano-2-iodo-6-nitrophenyl acetate|Benzonitrile, 4-(acetyloxy)-3-iodo-5-nitro-|(4-cyano-2-iodo-6-nitrophenyl) acetate|(4-cyano-2-iodo-6-nitro-phenyl) Acetate|Acetic acid 2-nitro-4-cyano-6-iodophenyl ester|Benzonitrile, 4-hydroxy-3-iodo-5-nitro-, acetate (ester)
CAS: 25844-86-4
| Molecular Formula | C9H5IN2O4 |
|---|---|
| Molecular Weight | 331.9294 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 95.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 331.9294 |
| Monoisotopic Mass | 331.9294 |
| Heavy Atoms | 16 |
| Complexity | 345.0 |
Chemical Identifiers
| CAS Number | 25844-86-4 |
|---|---|
| SMILES | CC(=O)OC1=C(C=C(C=C1I)C#N)[N+](=O)[O-] |
| InChIKey | QHGMPFOYGZNZQM-UHFFFAOYSA-N |
Product Overview
Benzonitrile, 4-(acetyloxy)-3-iodo-5-nitro- (CAS 25844-86-4), with molecular formula C9H5IN2O4 and molecular weight 331.9294 g/mol. IUPAC: (4-cyano-2-iodo-6-nitrophenyl) acetate.
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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Benzonitrile, 4-(acetyloxy)-3-iodo-5-nitro- is a custom synthesis product. We offer services from milligram to kilogram scale.
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