ditrimethylsilyl sulfate

• ChemBase ID: 295888
• Molecular Formular: C6H18O4SSi2
• Molecular Mass: 242.44072
• Monoisotopic Mass: 242.04643312
• SMILES: C[Si](C)(C)OS(=O)(=O)O[Si](C)(C)C
• Canonical SMILES: C[Si](OS(=O)(=O)O[Si](C)(C)C)(C)C
• InChI: InChI=1S/C6H18O4SSi2/c1-12(2,3)9-11(7,8)10-13(4,5)6/h1-6H3
• InChIKey: KRUQDZRWZXUUAD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ditrimethylsilyl sulfate
• IUPAC Traditional name: ditrimethylsilyl sulfate
• Synonyms: Bis(trimethylsilyl) sulfate; 双(三甲基硅基)硫酸酯

Database IDs

• CAS Number: 18306-29-1
• EC Number: 242-192-0
• MDL Number: MFCD00008268
• PubChem SID: 180681419
• PubChem CID: 87573

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.9679
• LogD (pH = 7.4): 2.9679
• Log P: 2.9679
• Molar Refractivity: 46.0226 cm^3
• Polarizability: 23.327482 Å^3
• Polar Surface Area: 52.6 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 44-47°C
• Boiling Point: 87-90°C/4mm
• Flash Point: -2°C(27°F)

Safety Information

• Storage Warning: Moisture Sensitive
• European Hazard Symbols: Corrosive (C); Flammable (F)
• UN Number: UN2925
• Hazard Class: 4.1
• Packing Group: III
• Risk Statements: 11-34
• Safety Statements: 20-26-36/37/39-45
• TSCA Listed: 否
• GHS Pictograms: GHS02; GHS05
• GHS Hazard statements: H228-H314-H318
• GHS Precautionary statements: P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A

Product Information

• Purity: 97%