disodium trioxotrisiloxane-1,5-bis(olate) hydrate

• ChemBase ID: 137827
• Molecular Formular: H2Na2O8Si3
• Molecular Mass: 260.24712
• Monoisotopic Mass: 259.88528518
• SMILES: O.[O-][Si](=O)O[Si](=O)O[Si](=O)[O-].[Na+].[Na+]
• Canonical SMILES: O=[Si](O[Si](=O)[O-])O[Si](=O)[O-].O.[Na+].[Na+]
• InChI: InChI=1S/2Na.O7Si3.H2O/c;;1-8(2)6-10(5)7-9(3)4;/h;;;1H2/q2*+1;-2
• InChIKey: ZNLXKKUAFZKLDO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: disodium trioxotrisiloxane-1,5-bis(olate) hydrate
• IUPAC Traditional name: disodium trioxotrisiloxane-1,5-bis(olate) hydrate
• Synonyms: Sodium trisilicate hydrate; 硅酸钠 水合物

Database IDs

• CAS Number: 304671-98-5
• EC Number: 237-626-0
• MDL Number: MFCD00150676
• PubChem SID: 162232088
• PubChem CID: 71310080

CALCULATED PROPERTIES

• Acid pKa: 2.69897
• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -5.581955
• LogD (pH = 7.4): -5.97051
• Log P: -1.4492
• Molar Refractivity: 9.9149 cm^3
• Polarizability: 12.099827 Å^3
• Polar Surface Area: 115.79 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Corrosive (C)
• German water hazard class: 3
• Risk Statements: 34-37
• Safety Statements: 13-36/37/39-45
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H314-H335
• GHS Precautionary statements: P261-P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges

Product Information

• Linear Formula: Na2Si3O7·xH2O