diphosphooxidane

• ChemBase ID: 295282
• Molecular Formular: O5P2
• Molecular Mass: 141.944522
• Monoisotopic Mass: 141.92209636
• SMILES: O=P(=O)OP(=O)=O
• Canonical SMILES: O=P(=O)OP(=O)=O
• InChI: InChI=1S/O5P2/c1-6(2)5-7(3)4
• InChIKey: YWEUIGNSBFLMFL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: diphosphooxidane
• IUPAC Traditional name: diphosphooxidane
• Synonyms: Phosphorus pentoxide; Phosphorus(V) oxide; Phosphoric anhydride; Phosphoric oxide; Phosphorus(V) oxide, ACS; 氧化磷(V); 氧化磷(V), ACS

Database IDs

• CAS Number: 1314-56-3
• EC Number: 215-236-1
• MDL Number: MFCD00011440
• Merck Index: 147355
• PubChem SID: 180680813
• PubChem CID: 6326975

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.4728
• LogD (pH = 7.4): -0.4728
• Log P: -0.4728
• Molar Refractivity: 20.7938 cm^3
• Polarizability: 8.441127 Å^3
• Polar Surface Area: 77.51 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Decomposes in water. Soluble in H2SO4. Insoluble in acetone and NH3
• Apperance: Powder
• Melting Point: 340°C
• Boiling Point: 360°C subl.
• Density: 2.39

Safety Information

• Storage Warning: Moisture Sensitive
• RTECS: TH3945000
• European Hazard Symbols: Corrosive (C)
• UN Number: UN1807
• Hazard Class: 8
• Packing Group: II
• Risk Statements: 35
• Safety Statements: 22-26-45
• TSCA Listed: 是
• GHS Pictograms: GHS05
• GHS Hazard statements: H314; H314-H318
• GHS Precautionary statements: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A

Product Information

• Purity: 98%; 98% min

REFERENCES

• For use with Dimethoxymethane, A12055, in the protection of alcohols as their methoxymethyl (MOM) ethers, avoiding the carcinogenic chloromethyl methyl ether, see: Synthesis, 276 (1975); Org. Synth. Coll., 9, 539 (1998).
• One of the most efficient drying agents which is used in various dehydrations and related reactions.
• Several lower viscosity alternatives to the useful dehydration and cyclization agent polyphosphoric acid (PPA) can be prepared from phosphorus pentoxide:
• Reaction with ether in chloroform gives polyphosphoric ester, PPE: Biochem. Biophys. Acta., 80, 1 (1964). The chloroform solution is mobile and useful for dehydrations such as: The Bischler-Napieralski reaction (see 2-Phenylethylamine, A13402), and related reactions: Tetrahedron Lett., 2419 (1964); the Fischer indole synthesis (see Phenylhydrazine, A11246): Chem. Ind. (London), 473 (1965); the direct, high-yield formation of thiocarboxylic esters by reaction between the carboxylic acid and the thiol: Synthesis, 134 (1982).
• For use of P₂O₅ in the formation of TMS polyphosphate, see Hexamethyldisiloxane, A11848. See also Eaton's Reagent, L15607.