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Cas Database |
| Name |
p-(bis(2-Chloroethyl)amino)phenyl-p-bromobenzoate |
EINECS | N/A |
| CAS No. | 22953-53-3 | Density | 1.474g/cm3 |
| PSA | 29.54000 | LogP | 4.95230 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C17H16 Br Cl2 N O2 | Boiling Point | 523.6°Cat760mmHg |
| Molecular Weight | 417.13 | Flash Point | 270.5°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Poison by intraperitoneal route. When heated to decomposition it emits very toxic fumes of Br−, Cl−, and NOx. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Benzoicacid, p-bromo-, p-[bis(2-chloroethyl)amino]phenyl ester (8CI); Phenol,p-[bis(2-chloroethyl)amino]-, p-bromobenzoate (ester) (8CI) |
Article Data | 2 |
p-(bis(2-Chloroethyl)amino)phenyl-p-bromobenzoate Chemical Properties
IUPAC Name: [4-[bis(2-Chloroethyl)amino]phenyl] 4-bromobenzoate
Synonyms of p-(bis(2-Chloroethyl)amino)phenyl-p-bromobenzoate (CAS NO.22953-53-3): Benzoic acid, p-bromo-, p-(bis(2-chloroethyl)amino)phenyl ester ; p-(Bis(2-Chloroethyl)amino)phenol p-bromobenzoate ; Phenol, p-(bis(2-chloroethyl)amino)-, p-bromobenzoate
CAS NO: 22953-53-3
Molecular Formula: C17H16BrCl2NO2
Molecular Weight : 417.1244
Molecular Structure: .png)
H bond acceptors: 3
H bond donors: 0
Freely Rotating Bonds: 8
Polar Surface Area: 29.54 Å2
Index of Refraction: 1.616
Molar Refractivity: 98.86 cm3
Molar Volume: 282.8 cm3
Surface Tension: 50.4 dyne/cm
Density: 1.474 g/cm3
Flash Point: 270.5 °C
Enthalpy of Vaporization: 79.73 kJ/mol
Boiling Point: 523.6 °C at 760 mmHg
Vapour Pressure: 4.65E-11 mmHg at 25°C
p-(bis(2-Chloroethyl)amino)phenyl-p-bromobenzoate Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 19mg/kg (19mg/kg) | Journal of Medicinal Chemistry. Vol. 12, Pg. 491, 1969. | |
| rat | LD50 | intraperitoneal | 27mg/kg (27mg/kg) | Journal of Medicinal Chemistry. Vol. 12, Pg. 491, 1969. |
p-(bis(2-Chloroethyl)amino)phenyl-p-bromobenzoate Safety Profile
Poison by intraperitoneal route. When p-(bis(2-Chloroethyl)amino)phenyl-p-bromobenzoate (CAS NO.22953-53-3) is heated to decomposition ,it emits very toxic fumes of Br−, Cl−, and NOx.
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