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| IUPAC Name: | 1-nitrohexane |
| Description: | 1-Nitrohexane (CAS# 646-14-0) is used in method for preparing amine by reducing nitro compound with pinacolborane under catalysis of cyclic (alkyl) (amino) carbene chromium complex. |
| Molecular Weight: | 131.17 |
| Molecular Formula: | C6H13NO2 |
| Canonical SMILES: | CCCCCC[N+](=O)[O-] |
| InChI: | InChI=1S/C6H13NO2/c1-2-3-4-5-6-7(8)9/h2-6H2,1H3 |
| InChI Key: | FEYJIFXFOHFGCC-UHFFFAOYSA-N |
| Boiling Point: | 78-80 °C at 11 mmHg |
| Purity: | 98 % |
| Density: | 0.94 g/cm3 |
| Appearance: | Clear colorless liquid. insoluble in water. |
| MDL: | MFCD00007411 |
| LogP: | 2.36660 |
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