4-[(trimethylsilyl)oxy]benzaldehyde

• ChemBase ID: 89151
• Molecular Formular: C10H14O2Si
• Molecular Mass: 194.30246
• Monoisotopic Mass: 194.07630622
• SMILES: O(c1ccc(cc1)C=O)[Si](C)(C)C
• Canonical SMILES: O=Cc1ccc(cc1)O[Si](C)(C)C
• InChI: InChI=1S/C10H14O2Si/c1-13(2,3)12-10-6-4-9(8-11)5-7-10/h4-8H,1-3H3
• InChIKey: FLVQNLXVIRUAPB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(trimethylsilyl)oxy]benzaldehyde
• IUPAC Traditional name: 4-[(trimethylsilyl)oxy]benzaldehyde
• Synonyms: 4-(Trimethylsilyloxy)benzaldehyde 97%; 4-(Trimethylsiloxy)benzaldehyde; 4-三甲基硅氧基-苯甲醛

Database IDs

• CAS Number: 1012-12-0
• EC Number: 213-789-3
• MDL Number: MFCD00040723
• Beilstein Number: 2085051
• PubChem SID: 162076035
• PubChem CID: 70536

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: 21.354446 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 124-126°C; 83-84°C/3mm
• Refractive Index: 1.5180

Safety Information

• Storage Warning: Air & Moisture Sensitive; Irritant
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/38
• Safety Statements: 23-26-37
• 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%