HuagongsheHuagongshe Chemistry Print Report · For research reference only
1-Nitronaphthalene
Nitronapthalene
Identifiers & Physical Properties
| CAS No. | 27254-36-0 |
|---|---|
| Molecular formula | C10H7NO2 |
| Average molar mass | 173.17 g/mol |
| Monoisotopic mass | 173.04767847 g/mol |
| SMILES | O=[N+]([O-])c1cccc2ccccc12 |
| InChIKey | RJKGJBPXVHTNJL-UHFFFAOYSA-N |
| PubChem CID | 6849 |
| ChEMBL | CHEMBL165373 |
| ChEBI | CHEBI:34104 |
| EC No. | 201-684-5 |
| DTXSID | DTXSID7020978 |
Chemical & Physical Properties
| XLogP | 3.2 |
|---|---|
| Topological polar surface area | 45.8 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 0 |
| Heavy atoms | 13 |
| Formal charge | 0 |
| Complexity | 200 |
| Melting point | 61.5°C |
| Boiling point | 303.81°C (rough estimate) |
| Density | 1.3320 |
| Refractive index | 1.5200 (estimate) |
| CAS DataBase Reference | 27254-36-0 |
| EPA Substance Registry System | Naphthalene, nitro- (27254-36-0) |
Applications & Uses
General Description
A yellow crystalline solid. Insoluble in water and denser than water. May irritate skin and eyes. Readily ignitable and may be difficult to extinguish once ignited. Used to make dyes and other chemicals.