4-Peroxycyclophosphamide
[CAS# 51274-71-6]

Identification

• Name: 4-Peroxycyclophosphamide
• Synonyms: 4-[[2-[Bis(2-Chloroethyl)Amino]-2-Oxo-1-Oxa-3-Aza-2$L^{5}-Phosphacyclohex-4-Yl]Dioxy]-N,N-Bis(2-Chloroethyl)-2-Oxo-1-Oxa-3-Aza-2$L^{5}-Phosphacyclohexan-2-Amine; [4-[[2-[Bis(2-Chloroethyl)Amino]-2-Keto-1-Oxa-3-Aza-2$L^{5}-Phosphacyclohex-4-Yl]Peroxy]-2-Keto-1-Oxa-3-Aza-2$L^{5}-Phosphacyclohex-2-Yl]-Bis(2-Chloroethyl)Amine; 2H-1,3,2-Oxazaphosphorin-2-Amine, 4,4'-Dioxybis(N,N-Bis(2-Chloroethyl)Tetrahydro-, 2,2'-Dioxide (9Ci)
• Molecular Formula: C₁₄H₂₈Cl₄N₄O₆P₂
• Molecular Weight: 552.16
• CAS Registry Number: 51274-71-6
• SMILES: C(N([P]1(NC(CCO1)OOC2N[P](N(CCCl)CCCl)(OCC2)=O)=O)CCCl)CCl
• InChI: 1S/C14H28Cl4N4O6P2/c15-3-7-21(8-4-16)29(23)19-13(1-11-25-29)27-28-14-2-12-26-30(24,20-14)22(9-5-17)10-6-18/h13-14H,1-12H2,(H,19,23)(H,20,24)
• InChIKey: MBXBDDYOYWGZID-UHFFFAOYSA-N

Properties

• Density: 1.483g/cm³ (Cal.)
• Boiling point: 597.998°C at 760 mmHg (Cal.)
• Flash point: 315.458°C (Cal.)