| benzenecarbonitrile; benzoic nitrile; benzonitrile; cyanobenzene; phenyl cyanide | |
| Links: | 🌍 Wikipedia, 📏 NIST, ⚗️ ChemSynthesis, 📖 PubMed, 📖Houben-Weyl, 2. Band (Benzonitril); p. 145, 250, 413, 629, 653, |
| CAS RN: | [100-47-0] |
| Formula: | C7H5N; 103.12 g/mol |
| InChiKey: | JFDZBHWFFUWGJE-UHFFFAOYSA-N |
| SMILES: | N#Cc1ccccc1 |
| Toxicology (LD50): | 1 500 mg/Kg (frog, sc); 1 700 mg/Kg(frog, sc); 33.0 mg/Kg(mouse, sc); 180 mg/Kg(mouse, sc); 120 mg/Kg(pigeon, im); 500 mg/Kg(pigeon, im); 51.0 mg/Kg(rabbit, sc); 200 mg/Kg(rabbit, sc) |
| Density: | 1.000 g/mL |
| Molar volume: | 103.1 mL/mol |
| Refractive index: | 1.528 |
| Molecular refractive power: | 31.75 mL/mol |
| Dielectric constant: | 26.00 |
| Dipole moment: | 4.28 D |
| Melting point: | -13 °C |
| Boiling point: | 190 °C |
| Vapour pressure: | 0 Torr |
| Antoine equation P(Torr) vs T(°C) | |
| Surface tension: | 39.52 dyn/cm |
| Critical temperature: | 426 °C |
| Critical pressure: | 4.2 atm |
| Log10 partition octanol / water: | 3.09 |
| Snyder X: | Xe: 0.3 Xd: 0.3 Xn: 0.4 |
| Dimroth ET: | 41.5 |
| Hildebrant solubility parameter (δ): | 11.1 |
| Immiscible with: 1,2,3-propanetriol, 1,3-propanediol | |
| Miscible with: 1,2-diethoxyethane, 2,4-pentanedione, 2-(2-aminoethylamino)ethanol, 2-amino-2-methyl-1-propanol, 2-ethylhexanol, 3-methyl-1-butanol, 4-hydroxy-4-methylpentan-2-one, 4-methyl-2-pentanone, N,N-dimethylaniline, aniline, benzene, benzyl alcohol, butanol, butyl acetate, ethanediol, ethanol, ethyl benzoate, furfuryl alcohol, pyridine, tetrachloromethane, tetraethylene glycol dibutyl ether, triethanolamine | |