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[4-[(2-Hydroxytetradecyl)oxy]phenyl](phenyl)iodonium Hexafluorostibate(V)

[4-[(2-Hydroxytetradecyl)oxy]phenyl](phenyl)iodonium Hexafluorostibate(V)

Inquiry

Molecular Formula:

C26H38F6IO2Sb

Molecular Weight:

745.23

CAS Number:

139301-16-9

Catalog Number:

139301-16-9

Product Information

Molecular Formula:

C26H38F6IO2Sb

Molecular Weight:

745.23

Description

[4-[(2-Hydroxytetradecyl)oxy]phenyl](phenyl)iodonium Hexafluorostibate(V) (CAS# 139301-16-9 ) is a useful research chemical.

Synonyms

hexafluorostiboranuide;[4-(2-hydroxytetradecoxy)phenyl]-phenyliodonium; hexafluoroantimony(1-);[4-(2-hydroxytetradecoxy)phenyl]-phenyliodanium

IUPAC Name

hexafluoroantimony(1-);[4-(2-hydroxytetradecoxy)phenyl]-phenyliodanium

Canonical SMILES

CCCCCCCCCCCCC(COC1=CC=C(C=C1)[I+]C2=CC=CC=C2)O.F[Sb-](F)(F)(F)(F)F

InChI

InChI=1S/C26H38IO2.6FH.Sb/c1-2-3-4-5-6-7-8-9-10-14-17-25(28)22-29-26-20-18-24(19-21-26)27-23-15-12-11-13-16-23;;;;;;;/h11-13,15-16,18-21,25,28H,2-10,14,17,22H2,1H3;6*1H;/q+1;;;;;;;+5/p-6

InChI Key

UUBSKBMYMSQFGN-UHFFFAOYSA-H

Melting Point

94 ℃(dec.)

Purity

> 98.0 % (HPLC)

Appearance

White to orange to green powder to crystaline

Storage

0-10 ℃

LogP

2.97070

Safety Information

Hazards

H301+H331:
Toxic if swallowed.
Toxic if inhaled.
H411:
Toxic to aquatic life with long-lasting effects.

Precautionary Statement

P261, P264, P270, P271, P273, P280, P301+P312, P304+P312, P304+P340, P305+P351+P338, P310, P312, P330, P391, and P501

Signal Word

Danger

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

744.08588 g/mol

Monoisotopic Mass

744.08588 g/mol

Topological Polar Surface Area

29.5Å²

Heavy Atom Count

Formal Charge

Complexity

425

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

Literatures

PMID	Publication Date	Title	Journal
16211656	2005-10-01	Synthesis and biological evaluation of bis(methoxy methyl)-7,8-dihydro-[1,4]dioxino[2,3-g]quinazolines as EGFR tyrosine kinase inhibitors	Archiv der Pharmazie

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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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