(3-iodopropyl)trimethoxysilane

• ChemBase ID: 152658
• Molecular Formular: C6H15IO3Si
• Molecular Mass: 290.17147
• Monoisotopic Mass: 289.98351887
• SMILES: CO[Si](CCCI)(OC)OC
• Canonical SMILES: ICCC[Si](OC)(OC)OC
• InChI: InChI=1S/C6H15IO3Si/c1-8-11(9-2,10-3)6-4-5-7/h4-6H2,1-3H3
• InChIKey: NILZGRNPRBIQOG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-iodopropyl)trimethoxysilane
• IUPAC Traditional name: (3-iodopropyl)trimethoxysilane
• Synonyms: (3-Iodopropyl)trimethoxysilane; (3-碘丙基)三甲氧基硅烷

Database IDs

• CAS Number: 14867-28-8
• MDL Number: MFCD00054838
• Beilstein Number: 969628
• PubChem SID: 162246802; 24881031
• PubChem CID: 2759373

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.0462
• LogD (pH = 7.4): 2.0462
• Log P: 2.0462
• Molar Refractivity: 49.0307 cm^3
• Polarizability: 22.035387 Å^3
• Polar Surface Area: 27.69 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: 172.4 °F; 78 °C
• Density: 1.482 g/mL at 20 °C(lit.)
• Refractive Index: n20/D 1.473(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: ≥95.0% (GC)
• Empirical Formula (Hill Notation): C6H15IO3Si

DETAILS

Sigma Aldrich - 58035

Packaging
25, 100 mL in glass bottle