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| Name |
p-(bis(2-Chloroethyl)amino)phenyl-m-chlorobenzoate |
EINECS | N/A |
| CAS No. | 22953-54-4 | Density | 1.337g/cm3 |
| PSA | 29.54000 | LogP | 4.84320 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C17H16 Cl3 N O2 | Boiling Point | 511.9°Cat760mmHg |
| Molecular Weight | 372.679 | Flash Point | 263.4°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Poison by intraperitoneal route. When heated to decomposition it emits very toxic fumes of Cl− and NOx. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Benzoicacid, m-chloro-, p-[bis(2-chloroethyl)amino]phenyl ester (8CI); Phenol,p-[bis(2-chloroethyl)amino]-, m-chlorobenzoate (ester) (8CI) |
p-(bis(2-Chloroethyl)amino)phenyl-m-chlorobenzoate Chemical Properties
IUPAC Name: p-(bis(2-Chloroethyl)amino)phenyl-m-chlorobenzoate
Synonyms of p-(bis(2-Chloroethyl)amino)phenyl-m-chlorobenzoate (CAS NO.22953-54-4): Benzoic acid, m-chloro-, p-(bis(2-chloroethyl)amino)phenyl ester ; p-(Bis(2-chloroethyl)amino)phenol m-chlorobenzoate ; Phenol, p-(bis(2-chloroethyl)amino)-, m-chlorobenzoate
CAS NO: 22953-54-4
Molecular Formula: C17H16Cl3NO2
Molecular Weight : 372.6734
Molecular Structure: .png)
H bond acceptors: 3
H bond donors: 0
Freely Rotating Bonds: 8
Polar Surface Area: 29.54 Å2
Index of Refraction: 1.605
Molar Refractivity: 96.07 cm3
Molar Volume: 278.5 cm3
Surface Tension: 49.5 dyne/cm
Density: 1.337 g/cm3
Flash Point: 263.4 °C
Enthalpy of Vaporization: 78.3 kJ/mol
Boiling Point: 511.9 °C at 760 mmHg
Vapour Pressure: 1.36E-10 mmHg at 25°C
p-(bis(2-Chloroethyl)amino)phenyl-m-chlorobenzoate Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 21mg/kg (21mg/kg) | Journal of Medicinal Chemistry. Vol. 12, Pg. 491, 1969. | |
| rat | LD50 | intraperitoneal | 42mg/kg (42mg/kg) | Journal of Medicinal Chemistry. Vol. 12, Pg. 491, 1969. |
p-(bis(2-Chloroethyl)amino)phenyl-m-chlorobenzoate Safety Profile
Poison by intraperitoneal route. When p-(bis(2-Chloroethyl)amino)phenyl-m-chlorobenzoate (CAS NO.22953-54-4) is heated to decomposition, it emits very toxic fumes of Cl− and NOx.
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