naphthalen-1-yldiphenylsulfanium trifluoromethanesulfonate

• ChemBase ID: 139295
• Molecular Formular: C23H17F3O3S2
• Molecular Mass: 462.5044896
• Monoisotopic Mass: 462.05712106
• SMILES: c1ccc(cc1)[S+](c1ccccc1)c1cccc2c1cccc2.C(F)(F)(F)S(=O)(=O)[O-]
• Canonical SMILES: c1ccc(cc1)[S+](c1cccc2c1cccc2)c1ccccc1.FC(S(=O)(=O)[O-])(F)F
• InChI: InChI=1S/C22H17S.CHF3O3S/c1-3-12-19(13-4-1)23(20-14-5-2-6-15-20)22-17-9-11-18-10-7-8-16-21(18)22;2-1(3,4)8(5,6)7/h1-17H;(H,5,6,7)/q+1;/p-1
• InChIKey: OOYZLFZSZZFLJW-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: naphthalen-1-yldiphenylsulfanium trifluoromethanesulfonate
• IUPAC Traditional name: naphthalen-1-yldiphenylsulfanium triflate
• Synonyms: 1-Naphthyl diphenylsulfonium triflate; 1-萘基二苯基锍三氟甲磺酸盐

Database IDs

• CAS Number: 116808-69-6
• MDL Number: MFCD04038883
• PubChem SID: 162233543; 24883768
• PubChem CID: 16217888

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.95212
• LogD (pH = 7.4): 4.95212
• Log P: 4.95212
• Molar Refractivity: 98.6289 cm^3
• Polarizability: 40.569557 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 132-136 °C(lit.)
• Absorption Wavelength: λmax 298 nm

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26
• 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

• Empirical Formula (Hill Notation): C22H17F3O3S2

DETAILS

Sigma Aldrich - 650706

General description
Cationic photoinitiator. Photoacid generator.
Packaging
1, 5 g in glass bottle