Chemical Properties of 2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-chloro-5-(o-fluorophenyl)-3-hydroxy- (CAS 17617-60-6)

InChI

InChI=1S/C15H10ClFN2O2/c16-8-5-6-12-10(7-8)13(19-15(21)14(20)18-12)9-3-1-2-4-11(9)17/h1-7,15,21H,(H,18,20)

InChI Key

FERBACJQVQVCKH-UHFFFAOYSA-N

Formula

C15H10ClFN2O2

SMILES

O=C1Nc2ccc(Cl)cc2C(c2ccccc2F)=NC1O

Molecular Weight¹

304.70

CAS

17617-60-6

Other Names

• 2H-1,4-Benzodiazepin-2-one, 7-chloro-5-(2-fluorophenyl)-1,3-dihydro-3-hydroxy-
• 1,3-Dihydro-7-chloro-5-(o-fluorophenyl)-3-hydroxy-2H-1,4-benzodiazepin-2-one
• OX 164F
• RO 7-5205
• 2H-1,4-Benzodiazepin-2-one, 7-chloro-5-(o-fluorophenyl)-1,3-dihydro-3-hydroxy-
• N-Desalkyl-3-hydroxyflurazepam
• 7-Chloro-5-(2-fluorophenyl)-3-hydroxy-1,3-dihydro-2H-1,4-benzodiazepin-2-one
• Flurazepam, (N-1-des-alkyl, 3-hydroxy)
• N-1-Desalkyl-3-hydroxyflurazepam
• CM 40095
• 3-hydroxy-N-desalkyl-2-oxoquazepam
• Flurazepam M (N-1-des-alkyl, 3-hydroxy)

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[600.31; 632.02]	J/mol×K	[929.27; 1185.50]
Cp,gas	600.31	J/mol×K	929.27	Joback Calculated Property
Cp,gas	609.70	J/mol×K	971.97	Joback Calculated Property
Cp,gas	617.46	J/mol×K	1014.68	Joback Calculated Property
Cp,gas	623.59	J/mol×K	1057.38	Joback Calculated Property
Cp,gas	628.06	J/mol×K	1100.09	Joback Calculated Property
Cp,gas	630.88	J/mol×K	1142.79	Joback Calculated Property
Cp,gas	632.02	J/mol×K	1185.50	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-chloro-5-(o-fluorophenyl)-3-hydroxy-.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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