8-Chloro-1-phenyl-1H-1,5-benzodiazepine-2,4(3H,5H)-dione supplier

Name
8-Chloro-1-phenyl-1H-1,5-benzodiazepine-2,4(3H,5H)-dione
EINECS 244-909-2
CAS No. 22316-55-8
Article Data13
CAS DataBase
Density 1.363 g/cm³
Solubility
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
Appearance
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-;
PSA 52.90000
LogP 3.49700

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:
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

Product Name

8-Chloro-1-phenyl-1H-1,5-benzodiazepine-2,4(3H,5H)-dione

8-Chloro-1-phenyl-1H-1,5-benzodiazepine-2,4(3H,5H)-dione Chemical Properties

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