(heptafluoropropyl)trimethylsilane

• ChemBase ID: 146925
• Molecular Formular: C6H9F7Si
• Molecular Mass: 242.2099824
• Monoisotopic Mass: 242.03617436
• SMILES: C[Si](C)(C)C(C(C(F)(F)F)(F)F)(F)F
• Canonical SMILES: FC(C(C([Si](C)(C)C)(F)F)(F)F)(F)F
• InChI: InChI=1S/C6H9F7Si/c1-14(2,3)6(12,13)4(7,8)5(9,10)11/h1-3H3
• InChIKey: PKLASFRWKXWKII-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (heptafluoropropyl)trimethylsilane
• IUPAC Traditional name: (heptafluoropropyl)trimethylsilane
• Synonyms: 1-(Trimethylsilyl)heptafluoropropane; (Heptafluoropropyl)trimethylsilane; 1-(三甲基硅基)七氟丙烷; (七氟丙基)三甲基硅烷

Database IDs

• CAS Number: 3834-42-2
• MDL Number: MFCD00216712
• Beilstein Number: 1769415
• PubChem SID: 24866961; 162241117
• PubChem CID: 4158915

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.5871
• LogD (pH = 7.4): 4.5871
• Log P: 4.5871
• Molar Refractivity: 33.08 cm^3
• Polarizability: 14.104933 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 88 °C(lit.)
• Flash Point: 129.2 °F; 54 °C
• Density: 1.195 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.324(lit.)

Safety Information

• UN Number: 1993
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 2
• Risk Statements: 10
• Safety Statements: 23-24/25
• GHS Pictograms: GHS02
• GHS Signal Word: Warning
• GHS Hazard statements: H226
• 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 2

Product Information

• Purity: 97%
• Linear Formula: CF3CF2CF2Si(CH3)3

DETAILS

Sigma Aldrich - 431044

Packaging
1 g in glass bottle
Application
Reactant involved in:
• Trifluoromethylation of arenes1
• Nucleophilic addition followed by intramolecular aza-Michael reactions2
• Perfluoroalkylation of carbonyl compounds3,4, aldimines3 and other organic substrates5
Used to prepare perfluoroalkyl compounds and heptafluoro-n-propyl derivatives of phosphorus and silicon.