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| Name |
p-(bis(2-Bromoethyl)amino)phenol-m-(α,α,α-trifluoromethyl)benzoate |
EINECS | N/A |
| CAS No. | 22953-41-9 | Density | 1.63g/cm3 |
| PSA | N/A | LogP | N/A |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C18H16 Br2 F3 N O2 | Boiling Point | 510.2°C at 760 mmHg |
| Molecular Weight | 495.134 | Flash Point | 262.3°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Poison by intraperitoneal route. See also ESTERS and BROMIDES. When heated to decomposition it emits very toxic fumes of Br−, F−, and NOx. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
m-Toluicacid, a,a,a-trifluoro-, p-[bis(2-bromoethyl)amino]phenyl ester (8CI); Phenol,p-[bis(2-bromoethyl)amino]-, a,a,a-trifluoro-m-toluate (ester) (8CI) |
p-(bis(2-Bromoethyl)amino)phenol-m-(α,α,α-trifluoromethyl)benzoate Chemical Properties
IUPAC Name: [4-[bis(2-Bromoethyl)amino]phenyl] 3-(trifluoromethyl)benzoate
Synonyms of p-(bis(2-Bromoethyl)amino)phenol-m-(α,α,α-trifluoromethyl)benzoate (CAS NO.22953-41-9): p-(Bis(2-bromoethyl)amino)phenol m-(alpha,alpha,alpha-trifluoromethyl)benzoate ; Phenol, p-(bis(2-bromoethyl)amino)-, m-(alpha,alpha,alpha-trifluoromethyl)benzoate
CAS NO: 22953-41-9
Molecular Formula: C18H16Br2F3NO2
Molecular Weight : 495.1283
Molecular Structure: .png)
H bond acceptors: 3
H bond donors: 0
Freely Rotating Bonds: 8
Polar Surface Area: 29.54 Å2
Index of Refraction: 1.585
Molar Refractivity: 101.92 cm3
Molar Volume: 303.7 cm3
Surface Tension: 45.2 dyne/cm
Density: 1.63 g/cm3
Flash Point: 262.3 °C
Enthalpy of Vaporization: 78.09 kJ/mol
Boiling Point: 510.2 °C at 760 mmHg
Vapour Pressure: 1.59E-10 mmHg at 25°C
p-(bis(2-Bromoethyl)amino)phenol-m-(α,α,α-trifluoromethyl)benzoate Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 3900ug/kg (3.9mg/kg) | Journal of Medicinal Chemistry. Vol. 12, Pg. 491, 1969. | |
| rat | LD50 | intraperitoneal | 3800ug/kg (3.8mg/kg) | Journal of Medicinal Chemistry. Vol. 12, Pg. 491, 1969. |
p-(bis(2-Bromoethyl)amino)phenol-m-(α,α,α-trifluoromethyl)benzoate Safety Profile
Poison by intraperitoneal route. See also ESTERS and BROMIDES. When p-(bis(2-Bromoethyl)amino)phenol-m-(α,α,α-trifluoromethyl)benzoate (CAS NO.22953-41-9) is heated to decomposition, it emits very toxic fumes of Br−, F−, and NOx.
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