CAS 873055-57-3 | ≥ 99 % HPLC
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Physical Parameters
| Parameter | Value / Description |
|---|---|
| Melting Point (MP) | ~90–92 °C (literature-reported range) |
| Boiling Point (BP) | Not well-documented (decomposes before boiling) |
| Density | - |
| Specific Gravity | - |
| Solubility | Soluble in organic solvents (e.g., ethanol, acetone); low solubility in water |
| Refractive Index | - |
| Vapor Pressure | - |
| Viscosity | - |
| Phase (at room temp.) | Solid |
| Thermal Conductivity | - |
| Heat Capacity | - |
Chemical Parameters
| Parameter | Value / Description |
|---|---|
| pH | Weakly acidic (due to phenolic –OH) |
| Chemical Stability | Stable under normal conditions, but may decompose at high temperatures |
| Flash Point | - |
| Autoignition Temperature | - |
| Oxidation State | - |
| Electronegativity | - |
| Ionization Energy | - |
| Chemical Reactivity | Nitrophenol derivative: may participate in hydrogen bonding, electrophilic substitution, and redox reactions |
| Functional Groups | Phenolic (–OH), nitro (–NO₂), tert-butyl (–C(CH₃)₃) |
| Spectroscopic Data (IR) | Expected peaks: O–H stretch (~3200–3500 cm⁻¹), aromatic C=C (~1600 cm⁻¹), NO₂ asymmetric/symmetric stretch (~1500–1350 cm⁻¹) |
| Spectroscopic Data (NMR) | ¹H NMR: Aromatic proton (~6–8 ppm), phenolic –OH (~5–10 ppm, broad), tert-butyl protons (~1.2–1.5 ppm) |
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