| Melting point |
131.5-134.5°C |
| Boiling point |
497.4±45.0 °C(Predicted) |
| Density |
1.2245 (rough estimate) |
| refractive index |
1.6330 (estimate) |
| Flash point |
11 °C |
| storage temp. |
2-8°C |
| solubility |
45% (w/v) aq 2-hydroxypropyl-β-cyclodextrin: 1.6 mg/mL |
| form |
A neat solid |
| pka |
3.4(at 25℃) |
| Water Solubility |
50mg/L(25 ºC) |
| BCS Class |
1 |
| Stability |
Stable. Light-sensitive. Incompatible with strong oxidizing agents. |
| Major Application |
pharmaceutical (small molecule) |
| InChI |
1S/C16H13ClN2O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h2-9H,10H2,1H3 |
| InChIKey |
AAOVKJBEBIDNHE-UHFFFAOYSA-N |
| SMILES |
CN1C(=O)CN=C(c2ccccc2)c3cc(Cl)ccc13 |
| CAS DataBase Reference |
439-14-5(CAS DataBase Reference) |
| IARC |
3 (Vol. Sup 7, 66) 1996 |
| NIST Chemistry Reference |
2H-1,4-benzodiazepin-2-one, 7-chloro-1,3-dihydro-1-methyl-5-phenyl-(439-14-5) |
| EPA Substance Registry System |
Diazepam (439-14-5) |
