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Benzyl(4-hydroxyphenyl)methylsulfonium Hexafluoroantimonate

Benzyl(4-hydroxyphenyl)methylsulfonium Hexafluoroantimonate

Inquiry

Molecular Formula:

C14H15F6OSSb

Molecular Weight:

467.08

CAS Number:

125662-42-2

Catalog Number:

125662-42-2

Product Information

Molecular Formula:

C14H15F6OSSb

Molecular Weight:

467.08

Description

Benzyl(4-hydroxyphenyl)methylsulfonium Hexafluoroantimonate is a notable biomedical agent that demonstrates remarkable potential in combating specific ailments. Acting as a proficient catalyst for diverse organic conversions, particularly in the realm of pharmaceutical synthesis, this compound exhibits unprecedented attributes pivotal in crafting pharmaceutical intermediates, notably antibacterial and antifungal drugs.

Synonyms

benzyl-(4-hydroxyphenyl)-methylsulfanium; hexafluoroantimony(1-)

IUPAC Name

benzyl-(4-hydroxyphenyl)-methylsulfaniumhexafluoroantimony(1-)

Canonical SMILES

C[S+](CC1=CC=CC=C1)C2=CC=C(C=C2)O.F[Sb-](F)(F)(F)(F)F

InChI

InChI=1S/C14H14OS.6FH.Sb/c1-16(11-12-5-3-2-4-6-12)14-9-7-13(15)8-10-14/h2-10H,11H2,1H36*1H/q+5/p-5

InChI Key

KNSKAMFDGOYVBE-UHFFFAOYSA-I

Melting Point

117 °C

Purity

>98.0%(T)(HPLC)

Appearance

White to Almost white powder to crystal

Safety Information

Hazards

H302+H332:
Harmful if swallowed.
Harmful if inhaled.
H411:
Toxic to aquatic life with long-lasting effects.

Precautionary Statement

P261:
Avoid breathing dust, fumes, gas, mist, vapours, spray. [As modified by IV ATP].
P264:
Wash thoroughly after handling.
P273:
Avoid release to the environment.
P304+P340+P312:
IF INHALED:
Remove person to fresh air and keep comfortable for breathing.
Call a POISON CENTER or doctor/physician if you feel unwell.
P391:
Collect spillage.
P501:
Dispose of contents/container in accordance with local/regional/national/international regulations.

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

465.97859 g/mol

Monoisotopic Mass

465.97859 g/mol

Topological Polar Surface Area

21.2Å²

Heavy Atom Count

Formal Charge

Complexity

256

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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Benzyl(4-hydroxyphenyl)methylsulfonium Hexafluoroantimonate

Product Information

Safety Information

Computed Properties

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