triethoxy({3-[(heptafluoropropan-2-yl)oxy]propyl})silane

• ChemBase ID: 8608
• Molecular Formular: C12H21F7O4Si
• Molecular Mass: 390.3670624
• Monoisotopic Mass: 390.10973322
• SMILES: [Si](CCCOC(F)(C(F)(F)F)C(F)(F)F)(OCC)(OCC)OCC
• Canonical SMILES: CCO[Si](OCC)(OCC)CCCOC(C(F)(F)F)(C(F)(F)F)F
• InChI: InChI=1S/C12H21F7O4Si/c1-4-21-24(22-5-2,23-6-3)9-7-8-20-10(13,11(14,15)16)12(17,18)19/h4-9H2,1-3H3
• InChIKey: CUVIJHAPWYUQIV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: triethoxy({3-[(heptafluoropropan-2-yl)oxy]propyl})silane
• IUPAC Traditional name: triethoxy({3-[(heptafluoropropan-2-yl)oxy]propyl})silane
• Synonyms: 3-(Heptafluoroisopropoxy)-propyltriethoxysilane; 3-(Heptafluoroisopropoxy)propyltriethoxysilane; 3-(Heptafluoroisopropoxy)propyltriethoxysilane 97%; 3-(七氟异丙氧基)丙基三乙氧基硅烷

Database IDs

• CAS Number: 149838-19-7
• MDL Number: MFCD00054745
• PubChem SID: 160971915
• PubChem CID: 2774922

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 4.3413
• LogD (pH = 7.4): 4.3413
• Log P: 4.3413
• Molar Refractivity: 67.4013 cm^3
• Polarizability: 27.755478 Å^3
• Polar Surface Area: 36.92 Å^2
• Rotatable Bonds: 13
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Density: 1.407
• Refractive Index: 1.358; 1.3580

Safety Information

• Storage Warning: Flammable; Moisture Sensitive; STORED UNDER ARGON
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/38
• Safety Statements: 23-26-37-60
• TSCA Listed: false; 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%