lithium(1+) ion oxophosphinate

• ChemBase ID: 108921
• Molecular Formular: LiO3P
• Molecular Mass: 85.912961
• Monoisotopic Mass: 85.97451004
• SMILES: [Li+].[O-]P(=O)=O
• Canonical SMILES: [O-]P(=O)=O.[Li+]
• InChI: InChI=1S/Li.HO3P/c;1-4(2)3/h;(H,1,2,3)/q+1;/p-1
• InChIKey: MRVHOJHOBHYHQL-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: lithium(1+) ion oxophosphinate
• IUPAC Traditional name: LithoTab O3P; lithium(1+) ion trioxidophosphate(1-)
• Synonyms: LITHIUM PHOSPHATE (meta); Lithium metaphosphate; 偏磷酸锂

Database IDs

• CAS Number: 13762-75-9
• EC Number: 237-361-0
• MDL Number: MFCD00054001
• PubChem SID: 162094777
• PubChem CID: 23667996

CALCULATED PROPERTIES

• Acid pKa: -2.0
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -3.1719975
• LogD (pH = 7.4): -3.172
• Log P: -0.9082
• Molar Refractivity: 11.1647 cm^3
• Polarizability: 4.634388 Å^3
• Polar Surface Area: 57.2 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Density: 2.46 g/mL at 25 °C(lit.)

Safety Information

• RTECS: OY3700000
• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22-36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 97%
• Impurities: 2-4% LiH2PO4
• Empirical Formula (Hill Notation): LiO3P

DETAILS

MP Biomedicals - 05209239

MP Biomedicals Rare Chemical collection