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4'-(Bis(2-chloroethyl)amino)-2-fluoroacetanidide

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  • Name 4'-(Bis(2-chloroethyl)amino)-2-fluoroacetanidide
  • EINECSN/A
  • CAS No. 1492-93-9
  • Density1.322g/cm3
  • PSA32.34000
  • LogP2.95160
  • SolubilityN/A
  • Melting Point123-124 °C
  • FormulaC12H15 Cl2 F N2 O
  • Boiling Point477.9°C at 760 mmHg
  • Molecular Weight293.19
  • Flash Point242.8°C
  • Transport InformationN/A
  • AppearanceN/A
  • SafetyPoison by intraperitoneal route. An experimental teratogen. When heated to decomposition it emits very toxic fumes of Cl, F, and NOx.
  • Risk CodesN/A
  • Molecular Structure
    Molecular Structure of 1492-93-9 (4'-[Bis(2-chloroethyl)amino]-2-fluoroacetanilide)
  • Hazard SymbolsN/A
  • SynonymsN/A

4'-(Bis(2-chloroethyl)amino)-2-fluoroacetanidide Chemical Properties

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

4'-(Bis(2-chloroethyl)amino)-2-fluoroacetanidide 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.

4'-(Bis(2-chloroethyl)amino)-2-fluoroacetanidide 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.

4'-(Bis(2-chloroethyl)amino)-2-fluoroacetanidide 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 .

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