triphenylsulfanium nonafluorobutane-1-sulfonate

• ChemBase ID: 97404
• Molecular Formular: C22H15F9O3S2
• Molecular Mass: 562.4683288
• Monoisotopic Mass: 562.03189032
• SMILES: [S+](c1ccccc1)(c1ccccc1)c1ccccc1.FC(C(C(C(S(=O)(=O)[O-])(F)F)(F)F)(F)F)(F)F
• Canonical SMILES: c1ccc(cc1)[S+](c1ccccc1)c1ccccc1.FC(C(C(S(=O)(=O)[O-])(F)F)(F)F)(C(F)(F)F)F
• InChI: InChI=1S/C18H15S.C4HF9O3S/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;5-1(6,3(9,10)11)2(7,8)4(12,13)17(14,15)16/h1-15H;(H,14,15,16)/q+1;/p-1
• InChIKey: VLLPVDKADBYKLM-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: triphenylsulfanium nonafluorobutane-1-sulfonate
• IUPAC Traditional name: triphenylsulfonium nonafluorobutane-1-sulfonate
• Synonyms: Triphenylsulfonium perfluoro-1-butanesufonate; Triphenylsulphonium nonaflate; 全氟丁基磺酸三苯基锍盐

Database IDs

• CAS Number: 144317-44-2
• MDL Number: MFCD02683476
• PubChem SID: 24877798; 162084011
• PubChem CID: 16216936

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.962643
• LogD (pH = 7.4): 3.962643
• Log P: 3.962643
• Molar Refractivity: 82.1787 cm^3
• Polarizability: 32.92 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Solubility: ethyl lactate: ~65%; PGMEA: ~50%; γ-butyrolactone: ~65%
• Melting Point: 82-83°C; 84-88 °C(lit.)

Safety Information

• Storage Warning: Irritant
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥99%
• Grade: electronic grade
• Total Acid: <2 × 10-3 mol/kg
• Total Base: <2 × 10-3 mol/kg
• Linear Formula: CF3(CF2)3SO3S(C6H5)3

DETAILS

Apollo Scientific Ltd - PC4472

Photoinitiator/photoacid generator

Sigma Aldrich - 531057

Application
Cationic photoinitiator. Photoacid generator.
Packaging
1, 5 g in poly bottle