dimethoxy(methyl)(3,3,3-trifluoropropyl)silane

• ChemBase ID: 97389
• Molecular Formular: C6H13F3O2Si
• Molecular Mass: 202.2469296
• Monoisotopic Mass: 202.06369085
• SMILES: FC(F)(CC[Si](OC)(OC)C)F
• Canonical SMILES: CO[Si](CCC(F)(F)F)(OC)C
• InChI: InChI=1S/C6H13F3O2Si/c1-10-12(3,11-2)5-4-6(7,8)9/h4-5H2,1-3H3
• InChIKey: DIJRHOZMLZRNLM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dimethoxy(methyl)(3,3,3-trifluoropropyl)silane
• IUPAC Traditional name: dimethoxy(methyl)(3,3,3-trifluoropropyl)silane
• Synonyms: Methyl(3,3,3-trifluoropropyl)dimethoxysilane; Dimethoxy-methyl(3,3,3-trifluoropropyl)silane; 3,3,3-Trifluoropropylmethyldimethoxysilane 97%; Dimethoxy(methyl)(3,3,3-trifluoropropyl)silane; (3,3,3-Trifluoropropyl)methyldimethoxysilane; Dimethoxymethyl(3,3,3-trifluoropropyl)silane; 3,3,3-三氟丙基甲基二甲氧基硅烷; 二甲氧基甲基(3,3,3-三氟丙基)硅

Database IDs

• CAS Number: 358-67-8
• EC Number: 206-619-4
• MDL Number: MFCD00053175
• Beilstein Number: 1753237
• PubChem SID: 24885929; 162083998
• PubChem CID: 67751

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.5855
• LogD (pH = 7.4): 1.5855
• Log P: 1.5855
• Molar Refractivity: 35.8041 cm^3
• Polarizability: 15.673801 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 85°C/150mm; 85°C/150mm
• Flash Point: 134.6 °F; 57 °C; 58°C; 58°C(136°F)
• Density: 1.089 g/mL at 20 °C(lit.); 1.095; 1.100
• Refractive Index: 1.3576; 1.358; n20/D 1.358

Safety Information

• Storage Warning: Irritant; Moisture Sensitive
• European Hazard Symbols: Irritant (Xi)
• UN Number: 1993; UN1993
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 3; III
• Risk Statements: 36/37/38
• Safety Statements: 23-26-37
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H226; H226-H315-H319-H335
• GHS Precautionary statements: P261-P280G-P305+P351+P338
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1993 3/PG 3

Product Information

• Purity: ≥97.0% (GC); 95+%; 97%
• Empirical Formula (Hill Notation): C6H13F3O2Si

DETAILS

Sigma Aldrich - 69465

Packaging
2.5 mL in glass bottle