Product Name

  • Name

    4-ketocyclophosphamide

  • EINECS
  • CAS No. 27046-19-1
  • Article Data2
  • CAS DataBase
  • Density 1.42g/cm3
  • Solubility
  • Melting Point 139-141°C
  • Formula C7H13 Cl2 N2 O3 P
  • Boiling Point °Cat760mmHg
  • Molecular Weight 275.072
  • Flash Point °C
  • Transport Information
  • Appearance
  • Safety Mutation data reported. When heated to decomposition it emits toxic vapors of NOx, POx, and Cl−.
  • Risk Codes
  • Molecular Structure Molecular Structure of 27046-19-1 (4-ketocyclophosphamide)
  • Hazard Symbols
  • Synonyms 2-[Bis(2-chloroethyl)amino]tetrahydro-2H-1,3,2-oxazaphosphorine2,4-dioxide; 4-Ketocyclophosphamide; 4-Oxocyclophosphamide; Asta 5160; NSC139488
  • PSA 65.65000
  • LogP 1.49000

4-Ketocyclophosphamide Chemical Properties

Product Name: 4-Ketocyclophosphamide (CAS NO.27046-19-1)


Molecular Formula: C7H13Cl2N2O3P
Molecular Weight: 275.09g/mol
Mol File: 27046-19-1.mol
Density: 1.42 g/cm3
Surface Tension: 49 dyne/cm
XLogP3-AA: 0.1
H-Bond Donor: 1
H-Bond Acceptor: 4
Structure Descriptors of 4-Ketocyclophosphamide (CAS NO.27046-19-1):
  IUPAC Name: 3-[Bis(2-chloroethyl)amino]-3-oxo-4-oxa-2-aza-3λ5-phosphacyclohexan-1-one
  Canonical SMILES: C1COP(=O)(NC1=O)N(CCCl)CCCl
  InChI: InChI=1S/C7H13Cl2N2O3P/c8-2-4-11(5-3-9)15(13)10-7(12)1-6-14-15/h1-6H2,(H,10,12,13) 
  InChIKey: VBMZHOCORXMDJU-UHFFFAOYSA-N

4-Ketocyclophosphamide Toxicity Data With Reference

1.    

mic-sat 10 mg/plate

     CNREA8    Cancer Research. 41 (1981),2967.
2.    

mic-esc 20 mmol/L

     JTEHD6    Journal of Toxicology and Environmental Health. 3 (1977),637.
3.    

sce-hmn-lym 100 µmol/L

     MUREAV    Mutation Research. 129 (1984),47.

4-Ketocyclophosphamide Safety Profile

Mutation data reported. When heated to decomposition it emits toxic vapors of NOx, POx, and Cl−.

4-Ketocyclophosphamide Specification

 4-Ketocyclophosphamide , its CAS NO. is 27046-19-1, the synonyms are 4-Oxocyclophosphamide ; Asta 5160 ; BRN 5582971 ; CCRIS 5128 ; NSC 139488 ; Oxo-Endoxan ; 2-(Bis(2-chloroethyl)amino)tetrahydro-4H-1,3,2-oxazaphosphorin-4-one 2-oxide ; 4H-1,3,2-Oxazaphosphorin-4-one, 2-(bis(2-chloroethyl)amino)tetrahydro-, 2-oxide (8CI)(9CI) .

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