-
Name
4-[Bis(2-chloroethyl)amino]phenol benzoate
- EINECS
- CAS No. 1233-89-2
- Article Data2
- CAS DataBase
- Density 1.268g/cm3
- Solubility
- Melting Point
- Formula C17H17 Cl2 N O2
- Boiling Point 477.5°Cat760mmHg
- Molecular Weight 338.233
- Flash Point 242.6°C
- Transport Information
- Appearance
- Safety Poison by intraperitoneal route. See also ESTERS. When heated to decomposition it emits very toxic fumes of Cl− and NOx.
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- 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)
- PSA 29.54000
- LogP 4.18980
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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