dimethyl(pentafluorophenyl)silane

• ChemBase ID: 11923
• Molecular Formular: C8H7F5Si
• Molecular Mass: 226.218696
• Monoisotopic Mass: 226.02371786
• SMILES: [SiH](C)(C)c1c(F)c(F)c(c(c1F)F)F
• Canonical SMILES: Fc1c(F)c([SiH](C)C)c(c(c1F)F)F
• InChI: InChI=1S/C8H7F5Si/c1-14(2)8-6(12)4(10)3(9)5(11)7(8)13/h14H,1-2H3
• InChIKey: MPONAZITPQRYHQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dimethyl(pentafluorophenyl)silane
• IUPAC Traditional name: dimethyl(pentafluorophenyl)silane
• Synonyms: Dimethylpentafluorophenylsilane; (Pentafluorophenyl)dimethylsilane; Dimethyl-pentafluorophenylsilane; DiMethyl(perfluorophenyl)silane; (五氟苯基)二甲基硅烷; 二甲基五氟苯基硅烷

Database IDs

• CAS Number: 13888-77-2
• MDL Number: MFCD00010661
• Beilstein Number: 2273224
• PubChem SID: 160975230
• PubChem CID: 6365052

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.5047
• LogD (pH = 7.4): 2.5047
• Log P: 2.5047
• Molar Refractivity: 38.4545 cm^3
• Polarizability: 15.922915 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 61-62 °C/20 mmHg(lit.); 61-62°C/20mm
• Flash Point: 122 °F; 50 °C
• Density: 1.295; 1.295 g/mL at 25 °C(lit.)
• Refractive Index: 1.4312; n20/D 1.431(lit.)

Safety Information

• Storage Warning: MOISTURE SENSITIVE, FLAMMABLE
• European Hazard Symbols: Irritant (Xi)
• UN Number: 1993
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 3
• Risk Statements: 10-36/37/38
• Safety Statements: 26-36
• TSCA Listed: false
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H226-H315-H319-H335
• GHS Precautionary statements: 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%; 98%
• Linear Formula: C6F5SiH(CH3)2

DETAILS

Sigma Aldrich - 291315

Application
Protecting reagent for alcohols.