sodium trimethylsilanolate

• ChemBase ID: 146326
• Molecular Formular: C3H9NaOSi
• Molecular Mass: 112.17823
• Monoisotopic Mass: 112.03203572
• SMILES: C[Si](C)(C)[O-].[Na+]
• Canonical SMILES: [O-][Si](C)(C)C.[Na+]
• InChI: InChI=1S/C3H9OSi.Na/c1-5(2,3)4;/h1-3H3;/q-1;+1
• InChIKey: HSNUIYJWTSJUMS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: sodium trimethylsilanolate
• IUPAC Traditional name: sodium trimethylsilanolate
• Synonyms: Trimethylsilanol sodium salt; Sodium trimethylsilanolate; Sodium trimethylsilanolate solution; 三甲基硅醇 钠盐; 三甲基硅氧基钠; 三甲基硅氧基钠 溶液

Database IDs

• CAS Number: 18027-10-6
• EC Number: 241-939-8
• MDL Number: MFCD00013926
• Beilstein Number: 3912148
• PubChem SID: 24859800; 162240524; 24860342
• PubChem CID: 23672319

CALCULATED PROPERTIES

• Acid pKa: 13.66856
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.8421
• LogD (pH = 7.4): 0.8420998
• Log P: 0.8421
• Molar Refractivity: 18.7832 cm^3
• Polarizability: 9.523748 Å^3
• Polar Surface Area: 23.06 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 230 °C (dec.)(lit.)
• Flash Point: 110 °C; -19 °C; -2.2 °F; 230 °F
• Density: 0.897 g/mL at 25 °C

Safety Information

• European Hazard Symbols: Corrosive (C); Flammable (F)
• UN Number: 2924; 3263
• German water hazard class: 3
• Hazard Class: 3; 8
• Packing Group: 2
• Risk Statements: 11-19-34-37; 34
• Safety Statements: 16-26-36/37/39-45; 26-36/37/39-45
• GHS Pictograms: GHS02; GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H314-H335; H314
• GHS Precautionary statements: P210-P261-P280-P305 + P351 + P338-P310; 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 2924 3/PG 2; UN 3263 8/PG 2
• Supplemental Hazard Statements: May form explosive peroxides.

Product Information

• Purity: 95%
• Concentration: 1.0 M in THF
• Linear Formula: (CH3)3SiONa

DETAILS

Sigma Aldrich - 329576

Packaging
25, 100 g in glass bottle

Sigma Aldrich - 335738

Packaging
100, 800 mL in Sure/Seal™