tetrasodium (phosphonatooxy)phosphonate

• ChemBase ID: 129812
• Molecular Formular: Na4O7P2
• Molecular Mass: 265.902402
• Monoisotopic Mass: 265.87100272
• SMILES: [O-]P(=O)([O-])OP(=O)([O-])[O-].[Na+].[Na+].[Na+].[Na+]
• Canonical SMILES: [O-]P(=O)(OP(=O)([O-])[O-])[O-].[Na+].[Na+].[Na+].[Na+]
• InChI: InChI=1S/4Na.H4O7P2/c;;;;1-8(2,3)7-9(4,5)6/h;;;;(H2,1,2,3)(H2,4,5,6)/q4*+1;/p-4
• InChIKey: FQENQNTWSFEDLI-UHFFFAOYSA-J

NAMES AND DATABASE IDS

Names

• IUPAC name: tetrasodium (phosphonatooxy)phosphonate
• IUPAC Traditional name: tetrasodium diphosphate
• Synonyms: Sodium phosphate (pyro); Sodium pyrophosphate; Sodium pyrophosphate, anhydrous, tech.; Tetrasodium pyrophosphate; Sodium diphosphate tetrabasic; Tetrasodium pyrophosphate; Sodium pyrophosphate tetrabasic; 焦磷酸钠; 焦磷酸钠,无水, tech.; 无水焦磷酸钠; 焦磷酸四钠; 焦磷酸钠 四元

Database IDs

• CAS Number: 7722-88-5
• EC Number: 231-767-1
• MDL Number: MFCD00003513
• Merck Index: 149240
• PubChem SID: 162224099; 24898899
• PubChem CID: 24403
• Wikipedia Title: Tetrasodium_pyrophosphate

CALCULATED PROPERTIES

• Acid pKa: 1.7026764
• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): -5.934867
• LogD (pH = 7.4): -6.883358
• Log P: -1.4419023
• Molar Refractivity: 21.038 cm^3
• Polarizability: 10.301113 Å^3
• Polar Surface Area: 135.61 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: 2.61 g/100 mL (0 °C) ; 6/7 g/100 mL (25 °C) ; 42.2 g/100 mL (100 °C) in water; insoluble in ammonia, alcohol; Soluble in water, with slow hydrolysis to sodium orthophosphate
• Apperance: Colorless crystals; Granular
• Melting Point: 988 °C (anhydrous) ; 79.5 °C (decahydrate); 988°C
• Flash Point: Non-flammable
• Density: 2.53 g/mL at 25 °C(lit.); 2.534; 2.534 g/cm^3
• Refractive Index: 1.425
• Odor: odorless

Safety Information

• Storage Warning: Hygroscopic
• RTECS: UX7350000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 1
• Risk Statements: 36/37/38
• Safety Statements: 26-36; 26-37
• TSCA Listed: 是
• EU Index: Not listed
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥95%; 98%
• Linear Formula: Na4P2O7

DETAILS

Sigma Aldrich - P8010

Packaging
2.5 kg in poly bottle
500 g in poly bottle