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p-(bis-(β-Chloroethyl)amino)benzylid-ene malononitrile

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Name

p-(bis-(β-Chloroethyl)amino)benzylid-ene malononitrile

EINECS N/A
CAS No. 4213-30-3 Density 1.294g/cm3
PSA 50.82000 LogP 3.40116
Solubility N/A Melting Point N/A
Formula C14H13Cl2N3 Boiling Point 472°Cat760mmHg
Molecular Weight 294.20 Flash Point 239.3°C
Transport Information N/A Appearance N/A
Safety Poison by intravenous route. When heated to decomposition it emits very toxic fumes of Cl, CN, and NOx. See also NITRILES. Risk Codes N/A
Molecular Structure Molecular Structure of 4213-30-3 (4-[Bis(2-chloroethyl)amino]benzylidenemalononitrile) Hazard Symbols N/A
Synonyms

p-Bis(2-chloroethyl)aminobenzilidine malononitrile;Malononitrile,(p-(bis(2-chloroethyl)amino)benzylidene);UM 951;{4-[Bis-(2-chlor-ethyl)-amino]-benzyliden}-malonsaeure-dinitril;Malononitrile mustard;

 

p-(bis-(β-Chloroethyl)amino)benzylid-ene malononitrile Chemical Properties

IUPAC Name: 2-[[4-[bis(2-Chloroethyl)amino]phenyl]methylidene]propanedinitrile
Synonyms of p-(bis-(β-Chloroethyl)amino)benzylid-ene malononitrile (CAS NO.4213-30-3): Malononitrile mustard ; Malononitrile, (p-(bis(2-chloroethyl)amino)benzylidene)- ; Malononitrile, (p-(bis(2-chloroethyl)amino)benzylidene)- ; p-(Bis-(beta-chloroethyl)-amino)benzylidene malononitrile ; p-Bis(2-chloroethyl)aminobenzilidine malononitrile ; Propanedinitrile, ((4-(bis(2-chloroethyl)amino)phenyl)methylene)- (9CI) ; Propanedinitrite, ((4-(bis(2-chloroethyl)amino)phenyl)methylene)-
CAS NO: 4213-30-3
Molecular Formula: C14H13Cl2N3
Molecular Weight : 294.1791
Molecular Structure:
H bond acceptors: 3
H bond donors: 0
Freely Rotating Bonds: 6
Polar Surface Area: 50.82 Å2
Index of Refraction: 1.618
Molar Refractivity: 79.72 cm3
Molar Volume: 227.2 cm3
Surface Tension: 55.8 dyne/cm
Density: 1.294 g/cm3
Flash Point: 239.3 °C
Enthalpy of Vaporization: 73.49 kJ/mol
Boiling Point: 472 °C at 760 mmHg
Vapour Pressure: 4.44E-09 mmHg at 25°C

p-(bis-(β-Chloroethyl)amino)benzylid-ene malononitrile Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LDLo intravenous 10mg/kg (10mg/kg) GASTROINTESTINAL: OTHER CHANGES

BLOOD: LEUKOPENIA

BLOOD: THROMBOCYTOPENIA
Cancer Chemotherapy Reports, Part 2. Vol. 2, Pg. 201, 1965.
monkey LDLo intravenous 20mg/kg (20mg/kg) BLOOD: LEUKOPENIA Cancer Chemotherapy Reports, Part 2. Vol. 2, Pg. 201, 1965.

p-(bis-(β-Chloroethyl)amino)benzylid-ene malononitrile Consensus Reports

Cyanide and its compounds are on the Community Right-To-Know List.

p-(bis-(β-Chloroethyl)amino)benzylid-ene malononitrile Safety Profile

Poison by intravenous route. When p-(bis-(β-Chloroethyl)amino)benzylid-ene malononitrile (CAS NO.4213-30-3) is heated to decomposition ,it emits very toxic fumes of Cl, CN, and NOx. See also NITRILES.

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