(2H3)phosphonous acid

• ChemBase ID: 147739
• Molecular Formular: H3O2P
• Molecular Mass: 65.996381
• Monoisotopic Mass: 65.98706597
• SMILES: OPO
• Canonical SMILES: OPO
• InChI: InChI=1S/H3O2P/c1-3-2/h1-3H
• InChIKey: XRBCRPZXSCBRTK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (^2H₃)phosphonous acid
• IUPAC Traditional name: (^2H₃)phosphonous acid
• Synonyms: Hypophosphorous acid-d3 solution; 次磷酸-d3 溶液

Database IDs

• CAS Number: 57583-56-9
• EC Number: 260-831-1
• MDL Number: MFCD00044565
• PubChem SID: 24850592; 162241923
• PubChem CID: 71311299

CALCULATED PROPERTIES

• Acid pKa: 16.856924
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.0984
• LogD (pH = 7.4): -1.0984
• Log P: -1.0984
• Molar Refractivity: 11.1292 cm^3
• Polarizability: 5.004292 Å^3
• Polar Surface Area: 40.46 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Density: 1.350 g/mL at 25 °C
• Mass Shift: M+3

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: 3264
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 34
• Safety Statements: 26-27-28.1-36/37/39
• RID/ADR: UN 3264 8/PG 2

Product Information

• Concentration: 50 wt. % in D2O
• Isotopic Purity: 98 atom % D
• Mol. Weight: mol wt 69.01 by atom % calculation
• Linear Formula: D3PO2

DETAILS

Sigma Aldrich - 176680

Packaging
10 g in glass bottle