[4-[4-[Bis(2-Chloroethyl)Amino]Phenyl]-1-Hydroxy-1-Phosphonobutyl]Phosphonic Acid
[CAS# 104233-81-0]

Identification

• Name: [4-[4-[Bis(2-Chloroethyl)Amino]Phenyl]-1-Hydroxy-1-Phosphonobutyl]Phosphonic Acid
• Synonyms: [4-[4-[Bis(2-Chloroethyl)Amino]Phenyl]-1-Hydroxy-1-Phosphono-Butyl]Phosphonic Acid; (4-(4-(Bis(2-Chloroethyl)Amino)Phenyl)-1-Hydroxybutylidene)Bis-Phosphonic Acid; 4-(4-(Bis(2-Chloroethyl)Amino)Phenyl)-1-Hydroxybutane-1,1-Bisphosphonic Acid
• Molecular Formula: C₁₄H₂₃Cl₂NO₇P₂
• Molecular Weight: 450.19
• CAS Registry Number: 104233-81-0
• SMILES: C1=C(CCCC([P](=O)(O)O)([P](=O)(O)O)O)C=CC(=C1)N(CCCl)CCCl
• InChI: 1S/C14H23Cl2NO7P2/c15-8-10-17(11-9-16)13-5-3-12(4-6-13)2-1-7-14(18,25(19,20)21)26(22,23)24/h3-6,18H,1-2,7-11H2,(H2,19,20,21)(H2,22,23,24)
• InChIKey: JHBMGZJQVAIXNT-UHFFFAOYSA-N

Properties

• Density: 1.58g/cm³ (Cal.)
• Boiling point: 762.077°C at 760 mmHg (Cal.)
• Flash point: 414.689°C (Cal.)