Gadolinium-1,4,7-triazacyclononane-N,N',N''-tris(methylenephosphonic acid)
[CAS# 121183-84-4]

Identification

• Name: Gadolinium-1,4,7-triazacyclononane-N,N',N''-tris(methylenephosphonic acid)
• Synonyms: [4,7-Bis(Phosphonatomethyl)-1,4,7-Triazonan-1-Yl]Methyl-Dioxido-Oxo-Phosphorane; Gadolinium(+3) Cation; [4,7-Bis(Phosphonatomethyl)-1,4,7-Triazonan-1-Yl]Methyl-Keto-Dioxido-Phosphorane; Gadolinium(+3) Cation; Gadolinium-1,4,7-Triazacyclononane-N,N',N''-Tris(Methylenephosphonic Acid)
• Molecular Formula: C₉H₁₈GdN₃O₉P₃
• Molecular Weight: 562.43
• CAS Registry Number: 121183-84-4
• SMILES: [Gd+3].C([P]([O-])([O-])=O)N1CCN(C[P]([O-])([O-])=O)CCN(C[P]([O-])([O-])=O)CC1
• InChI: 1S/C9H24N3O9P3.Gd/c13-22(14,15)7-10-1-2-11(8-23(16,17)18)5-6-12(4-3-10)9-24(19,20)21;/h1-9H2,(H2,13,14,15)(H2,16,17,18)(H2,19,20,21);/q;+3/p-6
• InChIKey: DIQGNQVERIPIGP-UHFFFAOYSA-H

Properties

• Boiling point: 764.5°C at 760 mmHg (Cal.)
• Flash point: 416.2°C (Cal.)