HuagongsheHuagongshe Chemistry Print Report · For research reference only
3-Methyl-5-nitroquinoline
3-Methyl-5-nitroquinoline · Quinoline, 3-methyl-5-nitro-
Identifiers & Physical Properties
| CAS No. | 103754-53-6 |
|---|---|
| Molecular formula | C10H8N2O2 |
| Average molar mass | 188.18 g/mol |
| Monoisotopic mass | 188.0585775 g/mol |
| SMILES | Cc1cnc2cccc([N+](=O)[O-])c2c1 |
| InChIKey | YWIZXDYNJNYJGS-UHFFFAOYSA-N |
| PubChem CID | 282964 |
| DTXSID | DTXSID90300465 |
Chemical & Physical Properties
| XLogP | 2.2 |
|---|---|
| Topological polar surface area | 58.7 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 0 |
| Heavy atoms | 14 |
| Formal charge | 0 |
| Complexity | 227 |
| Melting point | 106-107 °C(Solv: hexane (110-54-3)) |
| Boiling point | 338.7±27.0 °C(Predicted) |
| Density | 1.298±0.06 g/cm3(Predicted) |
| Storage conditions | Sealed in dry,Room Temperature |
| pKa (acidity coefficient) | 2.99±0.23(Predicted) |
| Appearance | Light brown to brown Solid |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H302-H315-H319-H335 |
| GHS precautionary statements | P261-P305+P351+P338 |
Safety & Regulations
| Signal word | Warning |
|---|---|
| GHS pictogram | GHS07 |
| GHS hazard statements | H302-H315-H319-H335 |
| GHS precautionary statements | P261-P305+P351+P338 |
Applications & Uses
Uses
3-Methyl-5-nitroquinoline is mainly used in organic synthesis and scientific research.