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21667-01-6

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Basic Information
CAS No.: 21667-01-6
Name: 2,6-Dimethylbenzoic acid 4-[bis(2-chloroethyl)amino]phenyl ester
Article Data: 1
Molecular Structure:
Molecular Structure of 21667-01-6 (2,6-Dimethylbenzoic acid 4-[bis(2-chloroethyl)amino]phenyl ester)
Formula: C19H21Cl2NO2
Molecular Weight: 366.31
Synonyms: P-(BIS(2-CHLOROETHYL)AMINO)PHENYL-2,6-DIMETHYLBENZOATE;2,6-Dimethylbenzoesaeure-4-[N,N-bis-(2-chlorethyl)-amino]-phenylester;
Density: 1.224g/cm3
Boiling Point: 517.4°Cat760mmHg
Flash Point: 266.7°C
Safety: Poison by intraperitoneal route. When heated to decomposition it emits very toxic fumes of Cl and NOx.
PSA: 29.54000
LogP: 4.80660
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  • p-(BIS(2-CHLOROETHYL)AMINO)PHENYL-2,6-DIMETHYLBENZOATE

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    21667-01-6

    p-(BIS(2-CHLOROETHYL)AMINO)PHENYL-2,6-DIMETHYLBENZOATE

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    21667-01-6

    p-(BIS(2-CHLOROETHYL)AMINO)PHENYL-2,6-DIMETHYLBENZOATE

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  • p-(BIS(2-CHLOROETHYL)AMINO)PHENYL-2,6-DIMETHYLBENZOATE

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    21667-01-6

    p-(BIS(2-CHLOROETHYL)AMINO)PHENYL-2,6-DIMETHYLBENZOATE

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Chemistry

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:
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

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.

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.