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22953-54-4

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Basic Information
CAS No.: 22953-54-4
Name: p-[Bis(2-chloroethyl)amino]phenyl=m-chlorobenzoate
Molecular Structure:
Molecular Structure of 22953-54-4 (p-[Bis(2-chloroethyl)amino]phenyl=m-chlorobenzoate)
Formula: C17H16 Cl3 N O2
Molecular Weight: 372.679
Synonyms: Benzoicacid, m-chloro-, p-[bis(2-chloroethyl)amino]phenyl ester (8CI); Phenol,p-[bis(2-chloroethyl)amino]-, m-chlorobenzoate (ester) (8CI)
Density: 1.337g/cm3
Boiling Point: 511.9°Cat760mmHg
Flash Point: 263.4°C
Safety: Poison by intraperitoneal route. When heated to decomposition it emits very toxic fumes of Cl− and NOx.
PSA: 29.54000
LogP: 4.84320
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Chemistry

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:
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

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.

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.