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Cas Database |
| Name |
8-Chloro-1-phenyl-1H-1,5-benzodiazepine-2,4(3H,5H)-dione |
EINECS | 244-909-2 |
| CAS No. | 22316-55-8 | Density | 1.363 g/cm3 |
| PSA | 52.90000 | LogP | 3.49700 |
| Solubility | N/A | Melting Point |
>239°C (dec.) |
| Formula | C15H11ClN2O2 | Boiling Point | 601.8 °C at 760 mmHg |
| Molecular Weight | 286.718 | Flash Point | 317.7 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | 16-36/37 | Risk Codes | 11-20/21/22-36 |
| Molecular Structure |
|
Hazard Symbols | F,Xn |
| Synonyms |
7-Chloro-5-phenyl-1,2,4,5-tetrahydro-3H-1,5-benzodiazepine-2,4-dione;Clofazin;Demethylclobazam;Desmethylclobazam;N-Demethylclobazam;N-Desmethylclobazam;Norclobazam;1H-1,5-Benzodiazepine-2,4(3H,5H)-dione,8-chloro-1-phenyl-; |
Article Data | 13 |
8-Chloro-1-phenyl-1H-1,5-benzodiazepine-2,4(3H,5H)-dione Chemical Properties
IUPAC Name: 8-Chloro-1-phenyl-5H-1,5-benzodiazepine-2,4-dione
Synonyms of 8-Chloro-1-phenyl-1H-1,5-benzodiazepine-2,4(3H,5H)-dione (CAS NO.22316-55-8): 7-Chloro-5-phenyl-1H-1,5-benzodiazepine-2,4(3H,5H)-dione ; Clofazin ; Demethylclobazam ; N-Desmethylclobazam
CAS NO: 22316-55-8
Molecular Formula: C15H11ClN2O2
Molecular Weight: 286.713
Molecular Structure: .png)
EINECS: 244-909-2
H bond acceptors: 4
H bond donors: 1
Freely Rotating Bonds: 1
Polar Surface Area: 40.62 Å2
Index of Refraction: 1.631
Molar Refractivity: 74.94 cm3
Molar Volume: 210.2 cm3
Surface Tension: 53.4 dyne/cm
Density: 1.363 g/cm3
Flash Point: 317.7 °C
Enthalpy of Vaporization: 89.54 kJ/mol
Boiling Point: 601.8 °C at 760 mmHg
Vapour Pressure: 1.95E-14 mmHg at 25°C
SMILES: Clc3cc1c(NC(=O)CC(=O)N1c2ccccc2)cc3
InChI: InChI=1/C15H11ClN2O2/c16-10-6-7-12-13(8-10)18(11-4-2-1-3-5-11)15(20)9-14(19)17-12/h1-8H,9H2,(H,17,19)
InChIKey: RRTVVRIFVKKTJK-UHFFFAOYAX
Std. InChI: InChI=1S/C15H11ClN2O2/c16-10-6-7-12-13(8-10)18(11-4-2-1-3-5-11)15(20)9-14(19)17-12/h1-8H,9H2,(H,17,19)
Std. InChIKey: RRTVVRIFVKKTJK-UHFFFAOYSA-N
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