trimethoxy(3,3,3-trifluoropropyl)silane

• ChemBase ID: 99800
• Molecular Formular: C6H13F3O3Si
• Molecular Mass: 218.2463296
• Monoisotopic Mass: 218.05860547
• SMILES: [Si](OC)(CCC(F)(F)F)(OC)OC
• Canonical SMILES: CO[Si](CCC(F)(F)F)(OC)OC
• InChI: InChI=1S/C6H13F3O3Si/c1-10-13(11-2,12-3)5-4-6(7,8)9/h4-5H2,1-3H3
• InChIKey: JLGNHOJUQFHYEZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: trimethoxy(3,3,3-trifluoropropyl)silane
• IUPAC Traditional name: trimethoxy(3,3,3-trifluoropropyl)silane
• Synonyms: (3,3,3-Trifluoropropyl)trimethoxysilane 97%; 3,3,3-Trifluoropropyl-trimethoxysilane; Trimethoxy(3,3,3-trifluoropropyl)silane; 3-(Trimethoxysilyl)-1,1,1-trifluoropropane; (3,3,3-Trifluoropropyl)trimethoxysilane; (3,3,3-TRIFLUOROPROPYL)TRIMETHOXYSILANE; 3,3,3-三氟丙基三甲氧基硅烷; 三甲氧基(3,3,3-三氟丙基)硅烷; (3,3,3-三氟丙基)三甲氧基硅烷

Database IDs

• CAS Number: 429-60-7
• EC Number: 207-059-3
• MDL Number: MFCD00039266
• Beilstein Number: 1762962
• PubChem SID: 162086048; 24889573
• PubChem CID: 67933

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.8185
• LogD (pH = 7.4): 1.8185
• Log P: 1.8185
• Molar Refractivity: 36.4917 cm^3
• Polarizability: 16.477228 Å^3
• Polar Surface Area: 27.69 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: liquid
• Boiling Point: 144 °C(lit.); 144°C; 144°C
• Flash Point: 100.4 °F; 38 °C; 38°C; 38°C(100°F)
• Density: 1.137; 1.140; 1.142 g/mL at 20 °C(lit.)
• Refractive Index: 1.355; 1.3550; n20/D 1.355

Safety Information

• Storage Warning: Flammable/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: 10-36/37/38
• Safety Statements: 26-36; 26-37
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H226-H315-H319-H335
• GHS Precautionary statements: P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A; P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Faceshields, 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); 97%; 98%
• Empirical Formula (Hill Notation): C6H13F3O3Si

DETAILS

Sigma Aldrich - 91877

Packaging
5, 25 mL in glass bottle