2-[(trimethylsilyl)oxy]benzaldehyde

• ChemBase ID: 89778
• Molecular Formular: C10H14O2Si
• Molecular Mass: 194.30246
• Monoisotopic Mass: 194.07630622
• SMILES: O=Cc1c(cccc1)O[Si](C)(C)C
• Canonical SMILES: O=Cc1ccccc1O[Si](C)(C)C
• InChI: InChI=1S/C10H14O2Si/c1-13(2,3)12-10-7-5-4-6-9(10)8-11/h4-8H,1-3H3
• InChIKey: GMQJTDJLZSIFQG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(trimethylsilyl)oxy]benzaldehyde
• IUPAC Traditional name: 2-[(trimethylsilyl)oxy]benzaldehyde
• Synonyms: 2-(Trimethylsiloxy)benzaldehyde; 2-(Trimethylsilyloxy)benzaldehyde 97%; 2-(三甲基硅氧基)苯甲醛

Database IDs

• CAS Number: 1078-31-5
• EC Number: 214-081-7
• MDL Number: MFCD00040721
• Beilstein Number: 1939281
• PubChem SID: 162076634
• PubChem CID: 66178

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.9272
• LogD (pH = 7.4): 2.9272
• Log P: 2.9272
• Molar Refractivity: 50.7488 cm^3
• Polarizability: 21.356865 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 116-118°C; 142°C/25mm
• Density: 1.013
• Refractive Index: 1.5095

Safety Information

• Storage Warning: Air & Moisture Sensitive; Irritant/Air Sensitive/Moisture Sensitive/Store under Argon
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319
• GHS Precautionary statements: P280-P305+P351+P338-P302+P352-P321-P362-P332+P313

Product Information

• Purity: 97%