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Cas Database |
| Name |
p-(bis(2-Chloroethyl)amino)phenyl-2,6-dimethylbenzoate |
EINECS | N/A |
| CAS No. | 21667-01-6 | Density | 1.224g/cm3 |
| PSA | 29.54000 | LogP | 4.80660 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C19H21Cl2NO2 | Boiling Point | 517.4°Cat760mmHg |
| Molecular Weight | 366.31 | Flash Point | 266.7°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 |
P-(BIS(2-CHLOROETHYL)AMINO)PHENYL-2,6-DIMETHYLBENZOATE;2,6-Dimethylbenzoesaeure-4-[N,N-bis-(2-chlorethyl)-amino]-phenylester; |
Article Data | 1 |
p-(bis(2-Chloroethyl)amino)phenyl-2,6-dimethylbenzoate Chemical Properties
IUPAC Name: [4-[bis(2-Chloroethyl)amino]phenyl] 2,6-dimethylbenzoate
Synonyms of p-(bis(2-Chloroethyl)amino)phenyl-2,6-dimethylbenzoate (CAS NO.21667-01-6): Benzoic acid, 2,6-dimethyl-, p-(bis(2-chloroethyl)amino)phenyl ester ; p-(Bis(2-chloroethyl)amino)phenol 2,6-dimethylbenzoate ; Phenol, p-(bis(2-chloroethyl)amino)-,2,6-dimethylbenzoate
CAS NO: 21667-01-6
Molecular Formula: C19H21Cl2NO2
Molecular Weight : 366.2815
Molecular Structure: .png)
H bond acceptors: 3
H bond donors: 0
Freely Rotating Bonds: 8
Polar Surface Area: 29.54 Å2
Index of Refraction: 1.589
Molar Refractivity: 100.82 cm3
Molar Volume: 299.1 cm3
Surface Tension: 45.8 dyne/cm
Density: 1.224 g/cm3
Flash Point: 266.7 °C
Enthalpy of Vaporization: 78.97 kJ/mol
Boiling Point: 517.4 °C at 760 mmHg
Vapour Pressure: 8.23E-11 mmHg at 25°C
p-(bis(2-Chloroethyl)amino)phenyl-2,6-dimethylbenzoate Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 500mg/kg (500mg/kg) | Journal of Medicinal Chemistry. Vol. 12, Pg. 491, 1969. | |
| rat | LD50 | intraperitoneal | 290mg/kg (290mg/kg) | Journal of Medicinal Chemistry. Vol. 12, Pg. 491, 1969. |
p-(bis(2-Chloroethyl)amino)phenyl-2,6-dimethylbenzoate Safety Profile
Poison by intraperitoneal route. When p-(bis(2-Chloroethyl)amino)phenyl-2,6-dimethylbenzoate (CAS NO.21667-01-6): is heated to decomposition, it emits very toxic fumes of Cl− and NOx.
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