(2H3)phosphoric acid

• ChemBase ID: 106251
• Molecular Formular: H3O4P
• Molecular Mass: 97.995181
• Monoisotopic Mass: 97.97689521
• SMILES: OP(=O)(O)O
• Canonical SMILES: OP(=O)(O)O
• InChI: InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)
• InChIKey: NBIIXXVUZAFLBC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (^2H₃)phosphoric acid
• IUPAC Traditional name: (^2H₃)phosphoric acid
• Synonyms: Trideuterophosphoric acid; Phosphoric acid-d3 solution; PHOSPHORIC ACID-D₃; 三氘代磷酸; 磷酸-d3 溶液

Database IDs

• CAS Number: 14335-33-2
• MDL Number: MFCD00044235
• PubChem SID: 24850598; 162094246
• PubChem CID: 3084191

CALCULATED PROPERTIES

• Acid pKa: 1.7961261
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -3.3916447
• LogD (pH = 7.4): -3.9718332
• Log P: -1.0201038
• Molar Refractivity: 14.6519 cm^3
• Polarizability: 6.520383 Å^3
• Polar Surface Area: 77.76 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 41-44 °C(lit.)
• Boiling Point: 158 °C/760 mmHg(lit.)
• Density: 1.736 g/mL at 25 °C
• Refractive Index: n20/D 1.427(lit.)
• Mass Shift: M+3

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: 1805
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 3
• Risk Statements: 34
• Safety Statements: 26-45
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H314
• GHS Precautionary statements: P280-P305 + P351 + P338-P310
• RID/ADR: UN 1805 8/PG 3

Product Information

• Purity: 99%
• Concentration: 85 wt. % in D2O
• Isotopic Purity: 98 atom % D
• Mol. Weight: mol wt 100.95 by atom % calculation
• Linear Formula: D3PO4

DETAILS

MP Biomedicals - 02521390

(85% in D₂O)
D₃PO₄
Purity: 99% D atom.

Sigma Aldrich - 176753

Packaging
10, 50, 100 g in glass bottle