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2894-67-9

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Basic Information
CAS No.: 2894-67-9
Name: Delorazepam
Article Data: 32
Molecular Structure:
Molecular Structure of 2894-67-9 (Delorazepam)
Formula: C15H10Cl2N2O
Molecular Weight: 305.163
Synonyms: 2H-1,4-Benzodiazepin-2-one,7-chloro-5-(o-chlorophenyl)-1,3-dihydro- (7CI,8CI);2'-Chloronordiazepam;7-Chloro-1,3-dihydro-5-(2-chlorophenyl)-2H-1,4-benzodiazepin-2-one;7-Chloro-5-(2-chlorophenyl)-1,3-dihydro-2H-1,4-benzodiazepin-2-one;7-Chloro-5-(2-chlorophenyl)-3H-1,4-benzodiazepin-2(1H)-one;7-Chloro-5-(o-chlorophenyl)-1,3-dihydro-2H-1,4-benzodiazepin-2-one;Chlordemethyldiazepam;Chlordesmethyldiazepam;Chlorodesmethyldiazepam;NSC 169895;RV 12165;Ro 5-3027;
EINECS: 220-771-9
Density: 1.42 g/cm3
Melting Point: 187-189 °C
Boiling Point: 481.7 °C at 760 mmHg
Flash Point: 245.1 °C
Appearance: Off-white to light yellow solid
Hazard Symbols: HarmfulXn, ToxicT, FlammableF
Risk Codes: 22-39/23/24/25-23/24/25-11
Safety: 36/37/39-45-36/37-16
Transport Information: UN 1230 3/PG 2
PSA: 41.46000
LogP: 3.35650
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Chemistry

Molecular Structure of 2H-1,4-Benzodiazepin-2-one,7-chloro-5-(2-fluorophenyl)-1,3-dihydro- (CAS NO.2894-67-9):

IUPAC Name: 7-chloro-5-(2-chlorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one
CAS: 2894-67-9
Empirical Formula: C15H10Cl2N2O
Molecular Weight: 305.1587
H bond acceptors: 3
H bond donors: 1
Freely Rotating Bonds: 1
Polar Surface Area: 32.67 Å2
Index of Refraction: 1.673
Molar Refractivity: 80.18 cm3
Molar Volume: 213.8 cm3
Surface Tension: 51.1 dyne/cm
Density: 1.42 g/cm3
Flash Point: 245.1 °C
Melting Point: 187-189°C
Enthalpy of Vaporization: 74.65 kJ/mol
Boiling Point: 481.7 °C at 760 mmHg
Vapour Pressure: 1.94E-09 mmHg at 25°C
storage temp: 2-8°C
InChI
InChI=1/C15H10Cl2N2O/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)Cl)=NCC(Nc1ccc(c2)Cl)=O
Product Categories: Intermediates & Fine Chemicals; Pharmaceuticals

Toxicity Data With Reference

 

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
human TDLo oral 28ug/kg (0.028mg/kg) BEHAVIORAL: SLEEP

BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)

BEHAVIORAL: ANTIANXIETY
Journal of Clinical Pharmacology. Vol. 16, Pg. 481, 1976.
mouse LD50 intraperitoneal 49390ug/kg (49.39mg/kg)   Bollettino Chimico Farmaceutico. Vol. 125, Pg. 31, 1986.
mouse LD50 intravenous 69890ug/kg (69.89mg/kg)   Bollettino Chimico Farmaceutico. Vol. 125, Pg. 31, 1986.
mouse LD50 oral 940mg/kg (940mg/kg)   Archives Internationales de Pharmacodynamie et de Therapie. Vol. 154, Pg. 131, 1965.
rabbit LD50 intravenous 25050ug/kg (25.05mg/kg)   Bollettino Chimico Farmaceutico. Vol. 125, Pg. 31, 1986.
rat LD50 intraperitoneal 46780ug/kg (46.78mg/kg)   Bollettino Chimico Farmaceutico. Vol. 125, Pg. 31, 1986.
rat LD50 intravenous 55860ug/kg (55.86mg/kg)   Bollettino Chimico Farmaceutico. Vol. 125, Pg. 31, 1986.
rat LD50 oral 2gm/kg (2000mg/kg)   Medicamentos de Actualidad. Vol. 15, Pg. 173, 1979.

Safety Profile

Hazard Codes: Xn,T,F
Risk Statements: 22-39/23/24/25-23/24/25-11 
R22:Harmful if swallowed. 
R39:Danger of very serious irreversible effects. 
R23/24/25:Toxic by inhalation, in contact with skin and if swallowed. 
R11:Highly flammable.
Safety Statements: 36/37/39-45-36/37-16 
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection. 
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) 
S36/37:Wear suitable protective clothing and gloves. 
S16:Keep away from sources of ignition.
RIDADR: UN 1230 3/PG 2
WGK Germany: 3
RTECS: DF2367500

Specification

2H-1,4-Benzodiazepin-2-one,7-chloro-5-(2-fluorophenyl)-1,3-dihydro- , with CAS number of 2894-67-9, can be called Delorazepam ; 5-(2-chlorophenyl)-7-chloro-1,4-benzodiazepin-2-one ; 7-chloro-5-(2-chloro-phenyl)-1,3-dihydro-2h-1,4-benzodiazepin-2-one ; 7-chloro-5-[o-chlorophenyl]-1,3-dihydro-2h-1,4-benzodiazepin-2-one ; 1,3-dihydro-7-chloro-5-(2-chlorophenyl)-2h-4-benzodiazepin-2-one ; 1,3-dihydro-7-chloro-5-(o-chlorophenyl)-2h-1,4-benzodiazepin-2-one ; 2-chloronordiazepam ; 2h-1,4-benzodiazepin-2-one, 1,3-dihydro-7-chloro-5-(2-chlorophenyl)- .  2H-1,4-Benzodiazepin-2-one,7-chloro-5-(2-fluorophenyl)-1,3-dihydro- (CAS NO.2894-67-9) is off-white to light yellow solid,can be used as an controlled substance.