triphenylsulfanium chloride

• ChemBase ID: 88397
• Molecular Formular: C18H15ClS
• Molecular Mass: 298.8297
• Monoisotopic Mass: 298.05829916
• SMILES: [S+](c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-]
• Canonical SMILES: c1ccc(cc1)[S+](c1ccccc1)c1ccccc1.[Cl-]
• InChI: InChI=1S/C18H15S.ClH/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;/h1-15H;1H/q+1;/p-1
• InChIKey: ZFEAYIKULRXTAR-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: triphenylsulfanium chloride
• IUPAC Traditional name: triphenylsulfonium chloride
• Synonyms: Triphenylsulfonium chloride solution; TRIPHENYLSULFONIUM CHLORIDE, 50% AQUEOUS SOLUTION; Tris(phenyl)sulphonium chloride; 三苯基氯化硫鎓盐 溶液

Database IDs

• CAS Number: 109037-76-5; 4270-70-6
• EC Number: 224-259-6
• MDL Number: MFCD00031716
• Beilstein Number: 3920448
• PubChem SID: 24889806; 162075355
• PubChem CID: 61343

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: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant
• 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: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Concentration: ~45% in H2O (T)
• Grade: technical
• Compostion: (thiodi-4,1-phenylene)bis-diphenylsulfonium dichloride, 25-35%; diphenyl (4-phenylthio)phenylsulfonium chloride, 15-20%; triphenylsulfonium chloride, 1-5%

DETAILS

MP Biomedicals - 05219577

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 93135

Packaging
250 mL in glass bottle