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CAS No.: | 2894-67-9 |
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Name: | Delorazepam |
Article Data: | 32 |
Molecular Structure: | |
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: | Xn, T, F |
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 |
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
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. |
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
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.