3-iodophenoxytrimethylsilane

• ChemBase ID: 295003
• Molecular Formular: C9H13IOSi
• Molecular Mass: 292.18889
• Monoisotopic Mass: 291.97803957
• SMILES: C[Si](C)(C)Oc1cccc(c1)I
• Canonical SMILES: Ic1cccc(c1)O[Si](C)(C)C
• InChI: InChI=1S/C9H13IOSi/c1-12(2,3)11-9-6-4-5-8(10)7-9/h4-7H,1-3H3
• InChIKey: GJDJYHHPFQRAHK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-iodophenoxytrimethylsilane
• IUPAC Traditional name: 3-iodophenoxytrimethylsilane
• Synonyms: 1-Iodo-3-(trimethylsiloxy)benzene; 1-碘-3-(三甲基硅氧基)苯

Database IDs

• EC Number: 000-000-0
• MDL Number: MFCD03788743
• PubChem SID: 180680534
• PubChem CID: 53411742

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.2423
• LogD (pH = 7.4): 4.2423
• Log P: 4.2423
• Molar Refractivity: 57.5273 cm^3
• Polarizability: 24.565228 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Refractive Index: 1.5460

Safety Information

• Storage Warning: Moisture & Light Sensitive
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/38
• Safety Statements: 26-36
• 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: 98%