Pyrene; 2,4,7-trinitrofluoren-9-one
pyrene;2,4,7-trinitrofluoren-9-one
Also Known As: 3-Isocamphylcyclohexanon|pyrene; 2,4,7-trinitrofluoren-9-one|pyrene,2,4,7-trinitrofluoren-9-one|2,4,7-Trinitro-9H-fluoren-9-one--pyrene (1/1)|9H-Fluoren-9-one,4,7-trinitro-, compd. with pyrene (1:1)|9H-Fluoren-9-one, 2,4,7-trinitro-, compd. with pyrene (1:1)
CAS: 3918-78-3
| Molecular Formula | C29H15N3O7 |
|---|---|
| Molecular Weight | 517.091 g/mol |
| LogP | 7.2066 |
| Topological Polar Surface Area | 155.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 0 |
| Exact Mass | 517.091 |
| Monoisotopic Mass | 517.091 |
| Heavy Atoms | 39 |
| Complexity | 781.0 |
Chemical Identifiers
| CAS Number | 3918-78-3 |
|---|---|
| SMILES | C1=CC2=C3C(=C1)C=CC4=CC=CC(=C43)C=C2.C1=CC2=C(C=C1[N+](=O)[O-])C(=O)C3=C2C(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | SIGROPCIDIOMCL-UHFFFAOYSA-N |
Product Overview
Pyrene; 2,4,7-trinitrofluoren-9-one (CAS 3918-78-3), with molecular formula C29H15N3O7 and molecular weight 517.091 g/mol. IUPAC: pyrene;2,4,7-trinitrofluoren-9-one.
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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