lithium(1+) ion dihydrogen phosphate

• ChemBase ID: 149895
• Molecular Formular: H2LiO4P
• Molecular Mass: 103.928241
• Monoisotopic Mass: 103.98507472
• SMILES: [Li+].OP(=O)(O)[O-]
• Canonical SMILES: [O-]P(=O)(O)O.[Li+]
• InChI: InChI=1S/Li.H3O4P/c;1-5(2,3)4/h;(H3,1,2,3,4)/q+1;/p-1
• InChIKey: SNKMVYBWZDHJHE-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: lithium(1+) ion dihydrogen phosphate
• IUPAC Traditional name: lithium(1+) ion dihydrogen phosphate
• Synonyms: Lithium phosphate, monobasic; Phosphoric acid monolithium salt; Lithium dihydrogen phosphate; Lithium dihydrogenphosphate; Lithium phosphate monobasic; 磷酸二氢锂; 磷酸二氢锂; 磷酸锂 一元

Database IDs

• CAS Number: 13453-80-0
• EC Number: 236-633-6
• MDL Number: MFCD00016188
• PubChem SID: 24867958; 162244057; 24880082
• PubChem CID: 23669251

CALCULATED PROPERTIES

• Acid pKa: 1.7961261
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -3.3916447
• LogD (pH = 7.4): -3.9718332
• Log P: -1.0201038
• Molar Refractivity: 13.5302 cm^3
• Polarizability: 5.806723 Å^3
• Polar Surface Area: 80.59 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: powder or crystals
• Melting Point: > 100°C; >100 °C(lit.)
• Density: 2.461; 2.5 g/mL at 25 °C(lit.)

Safety Information

• RTECS: TC6593950
• European Hazard Symbols: X; Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22-36/37/38
• Safety Statements: 26-36; 26-36/37
• TSCA Listed: 是
• GHS Pictograms: GHS06; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H301-H315-H319-H335; H302-H315-H319-H335
• GHS Precautionary statements: P261; P261-P301+P310-P305+P351+P338-P302+P352-P405-P501A; P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥99.99%; 97%; 99%
• Linear Formula: LiH2PO4

DETAILS

Sigma Aldrich - 563161

Packaging
25 g in poly bottle
Application
Precursor for LiMX2O7 (M = Fe, V; x =P, As) cathode materials.1

Sigma Aldrich - 442682

Packaging
500 g in poly bottle
Application
Precursor for LiMX2O7 (M = Fe, V; x =P, As) cathode materials.1