HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 12379985Generated: November 3, 2026
4-Methyl-3-nitroquinoline
4-METHYL-3-NITROQUINOLINE · Quinoline, 4-methyl-3-nitro-
https://huagongshe.com/en/chemical/12379985
Identifiers & Physical Properties
| CAS No. | 79965-62-1 |
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| Molecular formula | C10H8N2O2 |
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| Average molar mass | 188.18 g/mol |
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| Monoisotopic mass | 188.0585775 g/mol |
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| SMILES | Cc1c([N+](=O)[O-])cnc2ccccc12 |
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| InChIKey | NDKYJOLMYSCMGQ-UHFFFAOYSA-N |
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| PubChem CID | 12379985 |
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| ChEMBL | CHEMBL1876130 |
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| DTXSID | DTXSID60495392 |
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Chemical & Physical Properties
| XLogP | 2.4 |
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| Topological polar surface area | 58.7 |
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| Hydrogen bond donors | 0 |
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| Hydrogen bond acceptors | 3 |
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| Rotatable bonds | 0 |
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| Heavy atoms | 14 |
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| Formal charge | 0 |
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| Complexity | 227 |
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| Melting point | 118 °C(Solv: water (7732-18-5)) |
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| Boiling point | 328.3±22.0 °C(Predicted) |
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| Density | 1.298±0.06 g/cm3(Predicted) |
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| Storage conditions | Sealed in dry,Room Temperature |
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| pKa (acidity coefficient) | 1.80±0.24(Predicted) |
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| GHS pictogram | GHS07 |
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| Signal word | Warning |
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| GHS hazard statements | H302-H315-H319-H335 |
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| GHS precautionary statements | P261-P305+P351+P338 |
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| Customs code | 2933499090 |
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Safety & Regulations
| Customs code | 2933499090 |
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| Signal word | Warning |
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| GHS pictogram | GHS07 |
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| GHS hazard statements | H302-H315-H319-H335 |
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| GHS precautionary statements | P261-P305+P351+P338 |
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