cyclopropyldiphenylsulfanium; tetrafluoroboranuide

• ChemBase ID: 65351
• Molecular Formular: C15H15BF4S
• Molecular Mass: 314.1492128
• Monoisotopic Mass: 314.09236476
• SMILES: [S+](C1CC1)(c1ccccc1)c1ccccc1.[B-](F)(F)(F)F
• Canonical SMILES: C1CC1[S+](c1ccccc1)c1ccccc1.F[B-](F)(F)F
• InChI: InChI=1S/C15H15S.BF4/c1-3-7-13(8-4-1)16(15-11-12-15)14-9-5-2-6-10-14;2-1(3,4)5/h1-10,15H,11-12H2;/q+1;-1
• InChIKey: DWEYKSWKFYZEGZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: cyclopropyldiphenylsulfanium; tetrafluoroboranuide
• IUPAC Traditional name: cyclopropyldiphenylsulfanium tetrafluoroborate
• Synonyms: Cyclopropyldiphenylsulfonium tetrafluoroborate; Cyclopropyldiphenylsulfonium tetrafluoroborate; 环丙基二苯基锍四氟硼酸盐

Database IDs

• CAS Number: 33462-81-6
• EC Number: 251-530-6
• MDL Number: MFCD00011873
• Beilstein Number: 4172245
• PubChem SID: 162031090
• PubChem CID: 2724210

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.874027
• LogD (pH = 7.4): 2.874027
• Log P: 2.874027
• Molar Refractivity: 69.5631 cm^3
• Polarizability: 28.111143 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 136-138 °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
• TSCA Listed: false
• 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: 95%
• Linear Formula: C3H5S(C6H5)2BF4