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(4-Hydroxyphenyl)methyl(2-methylbenzyl)sulfonium Hexafluoroantimonate

(4-Hydroxyphenyl)methyl(2-methylbenzyl)sulfonium Hexafluoroantimonate

Inquiry

Molecular Formula:

C15H17F6OSSb

Molecular Weight:

481.11

CAS Number:

141651-31-2

Catalog Number:

141651-31-2

Product Information

Molecular Formula:

C15H17F6OSSb

Molecular Weight:

481.11

Description

(4-Hydroxyphenyl)methyl(2-methylbenzyl)sulfonium Hexafluoroantimonate has been used in antitumor drug research because of its significant inhibitory effect on abnormal cell proliferation.

Synonyms

hexafluoroantimony(1-); (4-hydroxyphenyl)-methyl-[(2-methylphenyl)methyl]sulfanium

IUPAC Name

hexafluoroantimony(1-)(4-hydroxyphenyl)-methyl-[(2-methylphenyl)methyl]sulfanium

Canonical SMILES

CC1=CC=CC=C1C[S+](C)C2=CC=C(C=C2)O.F[Sb-](F)(F)(F)(F)F

InChI

InChI=1S/C15H16OS.6FH.Sb/c1-12-5-3-4-6-13(12)11-17(2)15-9-7-14(16)8-10-15/h3-10H,11H2,1-2H36*1H/q+5/p-5

InChI Key

JAXDCSWYKUDLEP-UHFFFAOYSA-I

Melting Point

138 °C(dec.)

Purity

>98.0%(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

479.99424 g/mol

Monoisotopic Mass

479.99424 g/mol

Topological Polar Surface Area

21.2Å²

Heavy Atom Count

Formal Charge

Complexity

286

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

Patents

Publication Number	Title	Priority Date
JP-2021155372-A	A stereoisomer of an epoxy compound, a curable composition containing the same, and a cured product obtained by curing the curable composition.	2020-03-27
US-2021301206-A1	Liquid crystal material composition and display device	2020-03-26
CN-113015752-A	Ultraviolet assisted photoinitiated free radical polymerization	2018-10-01
KR-20210068504-A	Ultraviolet rays, auxiliary, photoinitiation, free radicals, polymerization	2018-10-01
CN-112752802-A	Acrylic coating composition containing inorganic oxide particles	2018-09-27
KR-20210068434-A	Acrylic coating composition comprising inorganic oxide particles	2018-09-27
JP-2019214673-A	Active energy ray-curable composition and cured product thereof	2018-06-13
JP-2019006977-A	CURABLE COMPOSITION, CURED PRODUCT, SEMICONDUCTOR DEVICE CONTAINING ORGANIC SILICON COMPOUND HAVING EPOXY GROUP	2018-03-27
KR-102224040-B1	Coating composition, polarizer protecting film, manufacturing method of polarizer protecting film, polarizing plate comprising same and liquid crystal display device comprising same	2018-01-11
JP-2019056106-A	Active energy ray-curable composition	2017-09-19

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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