(17O4)phosphoric acid

• ChemBase ID: 135393
• Molecular Formular: H3O4P
• Molecular Mass: 101.9941078
• Monoisotopic Mass: 101.99376353
• SMILES: [17OH]P(=[17O])([17OH])[17OH]
• Canonical SMILES: [17OH]P(=[17O])([17OH])[17OH]
• InChI: InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/i1+1,2+1,3+1,4+1
• InChIKey: NBIIXXVUZAFLBC-JCDJMFQYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (^1^7O₄)phosphoric acid
• IUPAC Traditional name: (^1^7O₄)phosphoric acid
• Synonyms: Phosphoric acid-17O4 solution; 磷酸-17O4 溶液

Database IDs

• CAS Number: 116374-21-1
• MDL Number: MFCD01075639
• PubChem SID: 162229667; 24882020; 24872815
• PubChem CID: 16213604

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+4

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: 1805
• German water hazard class: 1
• Hazard Class: 8
• Packing Group: 3
• Risk Statements: 34
• Safety Statements: 26-45
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H302-H314
• GHS Precautionary statements: P280-P305 + P351 + P338-P310
• RID/ADR: UN 1805 8/PG 3

Product Information

• Concentration: ~80 wt. % in H217O
• Isotopic Purity: 20 atom % 17O; 45 atom % 17O
• Mol. Weight: mol wt 99.00 by atom % calculation; mol wt 99.80 by atom % calculation
• Linear Formula: H3P17O4

DETAILS

Sigma Aldrich - 493252

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.