Molecular Structure of 2H-1,4-Benzodiazepin-2-one,7-chloro-5-(2-fluorophenyl)-1,3-dihydro- (CAS NO.2886-65-9):
IUPAC Name: 7-chloro-5-(2-fluorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one
CAS: 2886-65-9
Empirical Formula: C15H10ClFN2O
Molecular Weight: 288.7041
H bond acceptors: 3
H bond donors: 1
Freely Rotating Bonds: 1
Polar Surface Area: 32.67 Å2
Index of Refraction: 1.647
Molar Refractivity: 75.45 cm3
Molar Volume: 207.4 cm3
Surface Tension: 47 dyne/cm
Melting Point: 204-206°C
Density: 1.39 g/cm3
Flash Point: 228.4 °C
Enthalpy of Vaporization: 71.35 kJ/mol
Boiling Point: 454 °C at 760 mmHg
Vapour Pressure: 1.97E-08 mmHg at 25°C
InChI
InChI=1/C15H10ClFN2O/c16-9-5-6-13-11(7-9)15(18-8-14(20)19-13)10-3-1-2-4-12(10)17/h1-7H,8H2,(H,19,20)
Smiles
c12C(c3c(cccc3)F)=NCC(Nc1ccc(c2)Cl)=O
Product Categories: pharmacetical; (intermediate of fludiazepam,flurazepam); Aromatics; Heterocycles
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | oral | 2250mg/kg (2250mg/kg) | "Benzodinzenines," Garattini, S., et al., New York, Raven Press, 1973Vol. -, Pg. 46, 1973. |
Safety Statements: 22-24/25
S22:Do not breathe dust.
S24/25:Avoid contact with skin and eyes.
WGK Germany: 2
RTECS: DF2370100
2H-1,4-Benzodiazepin-2-one,7-chloro-5-(2-fluorophenyl)-1,3-dihydro- , with CAS number of 2886-65-9, can be called Dealkylflurazepam ; Descarbethoxyloflazepate ; Flurazepam M (des-alkyl) ; Flurazepam M (N-1-des-alkyl) ; Flurazepam, des-alkyl ; N-1-desalkyl-flurazepam ; N-Desalkyl-2-oxoquazepam ; N-Desalkylflurazepam . 2H-1,4-Benzodiazepin-2-one,7-chloro-5-(2-fluorophenyl)-1,3-dihydro- (CAS NO.2886-65-9) is a light yellow solid,this is a controlled drug precursor therefore a liscence may be required for purchase.
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