(18O4)phosphoric acid

• ChemBase ID: 135304
• Molecular Formular: H3O4P
• Molecular Mass: 105.994225
• Monoisotopic Mass: 105.99388073
• SMILES: [18OH]P(=[18O])([18OH])[18OH]
• Canonical SMILES: [18OH]P(=[18O])([18OH])[18OH]
• InChI: InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/i1+2,2+2,3+2,4+2
• InChIKey: NBIIXXVUZAFLBC-QVEBFPOWSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (^1^8O₄)phosphoric acid
• IUPAC Traditional name: (^1^8O₄)phosphoric acid
• Synonyms: Phosphoric acid-18O4 solution; 磷酸-18O4 溶液

Database IDs

• MDL Number: MFCD01075645
• PubChem SID: 162229579
• PubChem CID: 71309211

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: 5.927813 Å^3
• Polar Surface Area: 77.76 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Mass Shift: M+8

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: 1805
• German water hazard class: 1; 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
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1805 8/PG 3

Product Information

• Concentration: ~80 wt. % in H218O
• Isotopic Purity: 75 atom % 18O; 95 atom % 18O
• Mol. Weight: mol wt 104.00 by atom % calculation; mol wt 105.6 by atom % calculation
• Linear Formula: H3P18O4

DETAILS

Sigma Aldrich - 610003

Packaging
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.

Sigma Aldrich - 596396

Packaging
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.