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22953-53-3

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Basic Information
CAS No.: 22953-53-3
Name: p-[Bis(2-chloroethyl)amino]phenyl=p-bromobenzoate
Article Data: 2
Molecular Structure:
Molecular Structure of 22953-53-3 (p-[Bis(2-chloroethyl)amino]phenyl=p-bromobenzoate)
Formula: C17H16 Br Cl2 N O2
Molecular Weight: 417.13
Synonyms: Benzoicacid, p-bromo-, p-[bis(2-chloroethyl)amino]phenyl ester (8CI); Phenol,p-[bis(2-chloroethyl)amino]-, p-bromobenzoate (ester) (8CI)
Density: 1.474g/cm3
Boiling Point: 523.6°Cat760mmHg
Flash Point: 270.5°C
Safety: Poison by intraperitoneal route. When heated to decomposition it emits very toxic fumes of Br−, Cl−, and NOx.
PSA: 29.54000
LogP: 4.95230
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Chemistry

IUPAC Name: [4-[bis(2-Chloroethyl)amino]phenyl] 4-bromobenzoate
Synonyms of p-(bis(2-Chloroethyl)amino)phenyl-p-bromobenzoate (CAS NO.22953-53-3): Benzoic acid, p-bromo-, p-(bis(2-chloroethyl)amino)phenyl ester ; p-(Bis(2-Chloroethyl)amino)phenol p-bromobenzoate ; Phenol, p-(bis(2-chloroethyl)amino)-, p-bromobenzoate
CAS NO: 22953-53-3
Molecular Formula: C17H16BrCl2NO2
Molecular Weight : 417.1244
Molecular Structure:
H bond acceptors: 3
H bond donors: 0
Freely Rotating Bonds: 8
Polar Surface Area: 29.54 Å2
Index of Refraction: 1.616
Molar Refractivity: 98.86 cm3
Molar Volume: 282.8 cm3
Surface Tension: 50.4 dyne/cm
Density: 1.474 g/cm3
Flash Point: 270.5 °C
Enthalpy of Vaporization: 79.73 kJ/mol
Boiling Point: 523.6 °C at 760 mmHg
Vapour Pressure: 4.65E-11 mmHg at 25°C

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 19mg/kg (19mg/kg)   Journal of Medicinal Chemistry. Vol. 12, Pg. 491, 1969.
rat LD50 intraperitoneal 27mg/kg (27mg/kg)   Journal of Medicinal Chemistry. Vol. 12, Pg. 491, 1969.

Safety Profile

Poison by intraperitoneal route. When p-(bis(2-Chloroethyl)amino)phenyl-p-bromobenzoate (CAS NO.22953-53-3) is heated to decomposition ,it emits very toxic fumes of Br−, Cl−, and NOx.