lithium(1+) ion trimethylsilanolate

• ChemBase ID: 137475
• Molecular Formular: C3H9LiOSi
• Molecular Mass: 96.12946
• Monoisotopic Mass: 96.05827099
• SMILES: [Li+].C[Si](C)(C)[O-]
• Canonical SMILES: [O-][Si](C)(C)C.[Li+]
• InChI: InChI=1S/C3H9OSi.Li/c1-5(2,3)4;/h1-3H3;/q-1;+1
• InChIKey: OXOZHAWWRPCVGL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: lithium(1+) ion trimethylsilanolate
• IUPAC Traditional name: lithium(1+) ion trimethylsilanolate
• Synonyms: Lithium trimethylsilanolate solution; Trimethylsilanol lithium salt; Lithium trimethylsilanolate; 三甲基硅醇锂 溶液; 三甲基硅烷醇 锂盐; 三甲基硅醇锂

Database IDs

• CAS Number: 2004-14-0
• MDL Number: MFCD00075322
• Beilstein Number: 3686900
• PubChem SID: 24862814; 24861324; 162231737
• PubChem CID: 74821

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

• Boiling Point: 40 °C
• Flash Point: 145 °F; 63 °C
• Density: 1.278 g/mL at 25 °C
• Vapor Pressure: 24.12 psi ( 55 °C); 6.7 psi ( 20 °C)

Safety Information

• RTECS: VV7175000
• European Hazard Symbols: Corrosive (C); Toxic (T)
• UN Number: 3263; 3267
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 23/24/25-34-40; 34
• Safety Statements: 16-26-27-36/37/39-45; 26-28-36/37/39-45
• 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; UN 3267 8/PG 2

Product Information

• Purity: 97%
• Concentration: 1.0 M in methylene chloride
• Linear Formula: (CH3)3SiOLi

DETAILS

Sigma Aldrich - 369276

Packaging
100 mL in Sure/Seal™

Sigma Aldrich - 345474

Packaging
10 g in glass bottle