disodium 2,2',2''-spiroter[[1,3,2]benzodioxasilole]-2,2-diuide

• ChemBase ID: 137803
• Molecular Formular: C18H12Na2O6Si
• Molecular Mass: 398.34932
• Monoisotopic Mass: 398.0198532
• SMILES: c1ccc2c(c1)O[Si-2]13(O2)(Oc2ccccc2O1)Oc1ccccc1O3.[Na+].[Na+]
• Canonical SMILES: c1ccc2c(c1)O[Si-2]13(O2)(Oc2c(O3)cccc2)Oc2c(O1)cccc2.[Na+].[Na+]
• InChI: InChI=1S/C18H12O6Si.2Na/c1-2-8-14-13(7-1)19-25(20-14,21-15-9-3-4-10-16(15)22-25)23-17-11-5-6-12-18(17)24-25;;/h1-12H;;/q-2;2*+1
• InChIKey: TUOBPRJVJQCTTK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: disodium 2,2',2''-spiroter[[1,3,2]benzodioxasilole]-2,2-diuide
• IUPAC Traditional name: disodium 2,2',2''-spiroter[[1,3,2]benzodioxasilole]-2,2-diuide
• Synonyms: Disodium tris(1,2-benzenediolato-O,O′)silicate; 三(1,2-苯二醇酸根-O,O′)硅酸钠

Database IDs

• CAS Number: 101519-12-4
• MDL Number: MFCD00799530
• PubChem SID: 162232064
• PubChem CID: 10992990

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• Molar Refractivity: 82.773 cm^3
• Polar Surface Area: 55.38 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: >400 °C(lit.)

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: 3263
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 34
• Safety Statements: 26-27-36/37/39-45
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H314
• GHS Precautionary statements: 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
• RID/ADR: UN 3263 8/PG 2

Product Information

• Purity: 90%
• Impurities: 1.6% methyl alcohol
• Linear Formula: Na2Si(O2C6H4)3