89987-06-4

Name Tiludronic acid
CAS 89987-06-4
Molecular Formula C7H9ClO6P2S
MDL Number MFCD00867070
Molecular Weight 318.61
MOL File 89987-06-4.mol
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Chemical Properties

Melting point  174-177 °C
Boiling point  600.7±65.0 °C(Predicted)
density  1.82±0.1 g/cm3(Predicted)
storage temp.  room temp
solubility  H2O: >10mg/mL, clear
form  powder
pka pK1 10.85; pK2 6.90; pK3 2.95; pK4 1.30(at 25℃)
color  white to off-white
Water Solubility  H2O: >10mg/mL, clear
InChI 1S/C7H9ClO6P2S.2Na.H2O/c8-5-1-3-6(4-2-5)17-7(15(9,10)11)16(12,13)14;;;/h1-4,7H,(H2,9,10,11)(H2,12,13,14);;;1H2/q;2*+1;/p-2
InChIKey SZVJRJRMQCKFON-UHFFFAOYSA-L
SMILES O.[Na+].[Na+].OP([O-])(=O)C(Sc1ccc(Cl)cc1)P(O)([O-])=O

Safety Data

WGK Germany  3
Storage Class 11 - Combustible Solids

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