Difluoromethylene diphosphonate
Basic information
- CAS
10596-32-4- Standard SMILES
O=P(O)(O)C(F)(F)P(=O)(O)O- InChIKey
HSRBLOWVRMGXEC-UHFFFAOYSA-N- Molecular formula
- CH4F2O6P2
- Average molar mass
- 211.98 g/mol
- Monoisotopic mass
- 211.94511816
Overview
inhibits bone resorption
Names & identifiers
- Preferred name
- Difluoromethylene diphosphonate
- IUPAC
- [difluoro(phosphono)methyl]phosphonic acid
- English name
- difluoromethylene diphosphonate
- Molecular formula
- CH4F2O6P2
- Molecular weight
- 211.98
Names & synonyms
10596-32-4Difluoromethylene diphosphonateDFMDPDTXSID60147445RefChem:133599DTXCID3069936Difluoromethylenediphosphonic Acid[difluoro(phosphono)methyl]phosphonic acidPhosphonic acid, (difluoromethylene)bis-CH4F2O6P2MethanedifluorodiphosphonateSCHEMBL361741
Show more names
Difluoromethlenediphosphonic Acid(Difluoromethylene)bisphosphonic AcidDifluoromethylene)bis[phosphonic Acid]P,P'-(Difluoromethylene)bisphosphonic AcidPhosphonic acid, P,P'-(difluoromethylene)bis-
difluoromethylenephosphonic acid(difluoromethylene)-diphosphonic acidMFCD00233600AKOS028110699(Difluoromethylene)bis(phosphonic acid)(Difluoro-phosphono-methyl)-phosphonic acidDB-351192
Database identifiers
- CAS
10596-32-4- PubChem CID
- 73182
- DTXSID
DTXSID60147445- Nikkaji
- J757.352I
Properties
Computed structural properties
- XLogP
- -2.6
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 211
Experimental & physicochemical properties
SpringerMaterials Properties19F nuclear magnetic resonance spectrum
Physicochemical properties
- Melting point
- 87 · 87-90 °C
- Boiling point
- 472.4 · 472.4±55.0 °C(Predicted)
- Density
- 2.247 · 2.247±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C Freezer
- solubility
- DMSO (Sparingly), Water (Slightly)
- form
- Thick Oil to Gel
- pka
- 0.48 · 0.48±0.10(Predicted)
- color
- Pale Beige to Brown
- Stability
- Hygroscopic
Chemistry & industry
Applications
UsesA phosphonic acid derivative for development of biologically active compounds.
Related reactions
3 records
Compound notes
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