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1492-93-9

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Basic Information
CAS No.: 1492-93-9
Name: 4'-[Bis(2-chloroethyl)amino]-2-fluoroacetanilide
Molecular Structure:
Molecular Structure of 1492-93-9 (4'-[Bis(2-chloroethyl)amino]-2-fluoroacetanilide)
Formula: C12H15 Cl2 F N2 O
Molecular Weight: 293.19
Synonyms: Acetanilide,4'-[bis(2-chloroethyl)amino]-2-fluoro- (6CI,7CI,8CI); NSC 240362
Density: 1.322g/cm3
Melting Point: 123-124 °C
Boiling Point: 477.9°C at 760 mmHg
Flash Point: 242.8°C
Safety: Poison by intraperitoneal route. An experimental teratogen. When heated to decomposition it emits very toxic fumes of Cl−, F−, and NOx.
PSA: 32.34000
LogP: 2.95160
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Chemistry

Empirical Formula of 4'-(Bis(2-chloroethyl)amino)-2-fluoroacetanidide (CAS NO.1492-93-9): C12H15Cl2FN2O
Molecular Weight: 293.1647 
Index of Refraction: 1.581
Density: 1.322 g/cm3
Flash Point: 242.8 °C
Enthalpy of Vaporization: 74.19 kJ/mol
Boiling Point: 477.9 °C at 760 mmHg
Vapour Pressure: 2.69E-09 mmHg at 25 °C
Structure of 4'-(Bis(2-chloroethyl)amino)-2-fluoroacetanidide (CAS NO.1492-93-9):
               
IUPAC Name: N-[4-[Bis(2-chloroethyl)amino]phenyl]-2-fluoroacetamide
Canonical SMILES: C1=CC(=CC=C1NC(=O)CF)N(CCCl)CCCl
InChI: InChI=1S/C12H15Cl2FN2O/c13-5-7-17(8-6-14)11-3-1-10(2-4-11)16-12(18)9-15/h1-4H,5-9H2,(H,16,18)
InChIKey: HTONHMWVXDSAHU-UHFFFAOYSA-N

Toxicity Data With Reference

1.    

ipr-rat LD50:7916 µg/kg

     JMCMAR    Journal of Medicinal Chemistry. 8 (1965),167.
2.    

ipr-mus LD50:34 mg/kg

     JMCMAR    Journal of Medicinal Chemistry. 8 (1965),167.

Safety Profile

Poison by intraperitoneal route. An experimental teratogen. When heated to decomposition 4'-(Bis(2-chloroethyl)amino)-2-fluoroacetanidide (CAS NO.1492-93-9) emits very toxic fumes of Cl−, F−, and NOx.

Specification

 4'-(Bis(2-chloroethyl)amino)-2-fluoroacetanidide , its cas register number is 1492-93-9. It also can be called N-(p-(alpha-Fluoroacetylamino)phenyl)-2,2'-dichlorodiethylamine ; p-Fluoroacetylaminophenyl derivative of nitrogen mustard ; Fluoroacetyl-N-(p-aminophenyl)-nitrogen mustard ; and 4'-(Bis(2-chloroethyl)amino)-2-fluoroacetanilide .