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4587-15-9

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Basic Information
CAS No.: 4587-15-9
Name: {3-[bis(2-chloroethyl)amino]phenyl}(morpholin-4-yl)methanone
Molecular Structure:
Molecular Structure of 4587-15-9 ({3-[bis(2-chloroethyl)amino]phenyl}(morpholin-4-yl)methanone)
Formula: C15H20Cl2N2O2
Molecular Weight: 331.27
Density: 1.277g/cm3
Boiling Point: 511°Cat760mmHg
Flash Point: 262.9°C
Safety: A poison by an unreported route. A flammable liquid. When heated to decomposition it emits toxic vapors of NOx and Cl−.
PSA: 32.78000
LogP: 2.38090
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    m-(BIS(2-CHLOROETHYL)AMINO)PHENYL MORPHOLINO KETONE

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    m-(BIS(2-CHLOROETHYL)AMINO)PHENYL MORPHOLINO KETONE

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  • (3-(bis(2-chloroethyl)amino)phenyl)(morpholino)methanone

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    (3-(bis(2-chloroethyl)amino)phenyl)(morpholino)methanone

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  • {3-[bis(2-chloroethyl)amino]phenyl}(morpholin-4-yl)methanone

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    4587-15-9

    {3-[bis(2-chloroethyl)amino]phenyl}(morpholin-4-yl)methanone

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Chemistry

Product Name: Ketone, m-(bis(2-chloroethyl)amino)phenyl morpholino
CAS Registry Number: 4587-15-9
IUPAC Name: [3-[bis(2-chloroethyl)amino]phenyl]-morpholin-4-ylmethanone
Molecular Weight: 331.2375 [g/mol]
Molecular Formula: C15H20Cl2N2O2
XLogP3-AA: 2.3
H-Bond Donor: 0
H-Bond Acceptor: 3
Surface Tension: 49.8 dyne/cm
Density: 1.277 g/cm3
Flash Point: 262.9 °C
Enthalpy of Vaporization: 78.19 kJ/mol
Boiling Point: 511 °C at 760 mmHg
Vapour Pressure: 1.47E-10 mmHg at 25°C
Following is the molecular structure of Pentyl nitrite (CAS NO.4587-15-9) is:

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 unreported 40mg/kg (40mg/kg)   Neoplasma. Vol. 27, Pg. 261, 1980.

Safety Profile

A poison by an unreported route. A flammable liquid. When heated to decomposition it emits toxic vapors of NOx and Cl−.

Standards and Recommendations

DOT Classification:  3; Label: Flammable Liquid

Specification

 Ketone, m-(bis(2-chloroethyl)amino)phenyl morpholino , its cas register number is 4587-15-9. It also can be called {3-[bis(2-chloroethyl)amino]phenyl}(morpholin-4-yl)methanone .