CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Yellow solid; [HSDB] Dihydrate: Orange powder; [MSDSonline] |
|---|---|
| Color/Form | Yellow crystalline solid |
| Solubility | SOLUBILITY: 5.97 G/100 CC WATER @ 25 °C /TETRAHYDRATE/ |
| Decomposition | DECOMPOSES VIOLENTLY @ 279 °C ... /4-Nitrophenol/ |
| Odor Threshold | Detection in air: 2.3 mg/cu m /4-Nitrophenol/ |
| Other Experimental Properties | YELLOW MONOCLINIC PRISMS; MOLECULAR WT: 233.15; LOSES 2H2O @ 36 °C & 4H2O @ 120 °C; DECOMPOSES BEFORE REACHING BOILING POINT; SLIGHTLY SOL IN ALC /TETRAHYDRATE/ |
| Chemical Classes | Nitrogen Compounds -> Nitrophenols |
COMPUTED DESCRIPTORS
| Molecular Weight | 161.09 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 0 |
| Exact Mass | 161.00888727 g/mol |
| Monoisotopic Mass | 161.00888727 g/mol |
| Topological Polar Surface Area | 68.9 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 123 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 2 |
| Compound Is Canonicalized | Yes |