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Basic Information
CAS No.: 64508-90-3
Name: 5-[p-[Bis(2-chloroethyl)amino]phenyl]valeric acid
Article Data: 1
Molecular Structure:
Molecular Structure of 64508-90-3 (5-[p-[Bis(2-chloroethyl)amino]phenyl]valeric acid)
Formula: C15H21 Cl2 N O2
Molecular Weight: 318.27
Synonyms: Valericacid, 5-[p-[bis(2-chloroethyl)amino]phenyl]- (6CI,7CI); NSC 74747
Density: 1.223g/cm3
Boiling Point: 490.4°C at 760 mmHg
Flash Point: 250.4°C
Safety: Poison by intraperitoneal route. Mutation data reported. When heated to decomposition it emits toxic fumes of Cl− and NOx.
PSA: 40.54000
LogP: 3.76800
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Chemistry

Molecular structure of 5-(p-(Bis(2-chloroethyl)amino)phenyl)valeric acid (CAS NO.64508-90-3) is:

Product Name: 5-(p-(Bis(2-chloroethyl)amino)phenyl)valeric acid
CAS Registry Number: 64508-90-3
IUPAC Name: 5-[4-[bis(2-chloroethyl)amino]phenyl]pentanoic acid
Molecular Weight: 318.23874 [g/mol]
Molecular Formula: C15H21Cl2NO2
XLogP3: 2.2
H-Bond Donor: 1
H-Bond Acceptor: 3
Surface Tension: 47.6 dyne/cm
Density: 1.223 g/cm3
Flash Point: 250.4 °C
Enthalpy of Vaporization: 79.72 kJ/mol
Boiling Point: 490.4 °C at 760 mmHg
Vapour Pressure: 1.96E-10 mmHg at 25°C 
Classification Code: Mutation data

Toxicity Data With Reference

 
Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LDLo intraperitoneal 50mg/kg (50mg/kg)   Biochemical Pharmacology. Vol. 5, Pg. 192, 1960.

Consensus Reports

EPA Genetic Toxicology Program.

Safety Profile

Poison by intraperitoneal route. Mutation data reported. When heated to decomposition it emits toxic fumes of Cl− and NOx.

Specification

 5-(p-(Bis(2-chloroethyl)amino)phenyl)valeric acid , its cas register number is 64508-90-3. It also can be called 4-(Bis(2-chloroethyl)amino)benzenepentanoic acid ; 4-14-00-01738 (Beilstein Handbook Reference) ; 5-(4-Bis(2-chloroethyl)aminophenyl)pentanoic acid ; BRN 3375210 ; CB 1356 ; p-N,N-Di-(2-chloroethyl)aminophenylvaleric acid ; Benzenepentanoic acid, 4-(bis(2-chloroethyl)amino)- (9CI) ; Valeric acid, 5-(p-(bis(2-chloroethyl)amino)phenyl)- .