| nitrobenzene; nitrobenzide; nitrobenzol | |
| Links: | 📏 NIST, ⚗️ ChemSynthesis, 📖 PubMed, 📖Houben-Weyl, 2. Band (Nitrobenzol); p. 13, 148, 154, 312, 334, 338, 342, 347, 358, 400, 413, 417, 433, 435, 723, 882, 963, 979, |
| CAS RN: | [98-95-3] |
| Formula: | C6H5NO2; 123.11 g/mol |
| InChiKey: | LQNUZADURLCDLV-UHFFFAOYSA-N |
| SMILES: | O=[N+]([O-])c1ccccc1 |
| Use: | essence of mirbane; essence of myrbane; manufacture of aniline, azobenzene, benzidine, cements, cosmetics, dye intermediates, dyes, dust preventatives, explosives, glues, greases, various other organic chemicals, polishes, soaps, synthetic oil of almonds, toilet preparations, etc.; oil of mirbane; oil of myrbane |
| Odor: | reminds of bitter almond |
| Toxicology (LD50): | 200 mg/Kg (dog, iv); 875 mg/Kg(dog, or); 500 mg/Kg(guinea~pig, ip); 800 mg/Kg(guinea~pig, sc); 34.0 mg/Kg(human, or); 480 mg/Kg(mouse, ct); 2 500 mg/Kg(rabbit, ct); 10 000 mg/Kg(rabbit, ct); 660 mg/Kg(rabbit, or); 600 mg/Kg(rabbit, sc); 500 mg/Kg(rat, ip); 349 mg/Kg(rat, or); 800 mg/Kg(rat, sc) |
| Density: | 1.204 g/mL |
| Molar volume: | 102.3 mL/mol |
| Refractive index: | 1.552 |
| Molecular refractive power: | 32.67 mL/mol |
| Dielectric constant: | 34.80 |
| Dipole moment: | 4.28 D |
| Melting point: | 6 °C |
| Boiling point: | 211 °C |
| Vapour pressure: | 0 Torr |
| Antoine equation P(Torr) vs T(°C) | |
| Surface tension: | 43.90 dyn/cm |
| Viscosity: | 1.80 cP |
| Critical temperature: | 447 °C |
| Critical pressure: | 47.6 atm |
| Solubility in water: | 0 % w/w |
| Log10 partition octanol / water: | 1.86 |
| Snyder P': | 4.4 |
| Snyder X: | Xe: 0.3 Xd: 0.3 Xn: 0.4 |
| Dimroth ET: | 41.2 |
| Hildebrant solubility parameter (δ): | 10.0 |
| Hansen solubility parameter: | δd: 9.8 (cal/mL)^0.5 δp: 4.2 (cal/mL)^0.5 δh: 2.0 (cal/mL)^0.5 |
| 100g dissolves: 57.2g 4-nitrobenzyl chloride; 48.8g benzophenone; 10.05g benzoic acid; 4.26g iodine; 1.26g octadecanoic acid; 0.5g camphoric acid | |
| Specific heat capacity: | 44.0 cal/molK |
| Latent heat of fusion: | 2,768 cal/mol |