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Cas Database |
| Name |
p-(Bis(2-chloroethyl)amino)phenyl benzoate |
EINECS | N/A |
| CAS No. | 1233-89-2 | Density | 1.268g/cm3 |
| PSA | 29.54000 | LogP | 4.18980 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C17H17 Cl2 N O2 | Boiling Point | 477.5°Cat760mmHg |
| Molecular Weight | 338.233 | Flash Point | 242.6°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Poison by intraperitoneal route. See also ESTERS. When heated to decomposition it emits very toxic fumes of Cl− and NOx. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Phenol,4-[bis(2-chloroethyl)amino]-, benzoate (ester) (9CI); Phenol,p-[bis(2-chloroethyl)amino]-, benzoate (6CI); Phenol,p-[bis(2-chloroethyl)amino]-, benzoate (ester) (8CI) |
Article Data | 2 |
p-(Bis(2-chloroethyl)amino)phenyl benzoate Chemical Properties
IUPAC Name: [4-[bis(2-Chloroethyl)amino]phenyl] benzoate
Synonyms of p-(Bis(2-chloroethyl)amino)phenyl benzoate (CAS NO.1233-89-2): Benzoic acid, p-(bis(2-chloroethyl)amino)phenyl ester ; p-(Bis(2-chloroethyl)amino)phenol benzoate ; Phenol, p-(bis(2-chloroethyl)amino)-, benzoate
CAS NO: 1233-89-2
Molecular Formula: C17H17Cl2NO2
Molecular Weight : 338.2284
Molecular Structure: .png)
H bond acceptors: 3
H bond donors: 0
Freely Rotating Bonds: 8
Polar Surface Area: 29.54 Å2
Index of Refraction: 1.599
Molar Refractivity: 91.17 cm3
Molar Volume: 266.6 cm3
Surface Tension: 48.3 dyne/cm
Density: 1.268 g/cm3
Flash Point: 242.6 °C
Enthalpy of Vaporization: 74.15 kJ/mol
Boiling Point: 477.5 °C at 760 mmHg
Vapour Pressure: 2.78E-09 mmHg at 25°C
p-(Bis(2-chloroethyl)amino)phenyl benzoate Toxicity Data With Reference
| 1. | ipr-rat LD50:20 mg/kg | JMCMAR Journal of Medicinal Chemistry. 12 (1969),491. | ||
| 2. | ipr-mus LD50:18,500 µg/kg | JMCMAR Journal of Medicinal Chemistry. 12 (1969),491. |
p-(Bis(2-chloroethyl)amino)phenyl benzoate Safety Profile
Poison by intraperitoneal route. See also ESTERS. When p-(Bis(2-chloroethyl)amino)phenyl benzoate (CAS NO.1233-89-2) is heated to decomposition, it emits very toxic fumes of Cl− and NOx.
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