Tris(4-trifluoromethylphenyl)phosphine

Product Information

Molecular Formula:
C21H12F9P
Molecular Weight:
466.28
Description
Tris(4-trifluoromethylphenyl)phosphine (CAS# 13406-29-6 ) is a useful research chemical.
Synonyms
tris[4-(trifluoromethyl)phenyl]phosphine; tris[4-(trifluoromethyl)phenyl]phosphane
IUPAC Name
tris[4-(trifluoromethyl)phenyl]phosphane
Canonical SMILES
C1=CC(=CC=C1C(F)(F)F)P(C2=CC=C(C=C2)C(F)(F)F)C3=CC=C(C=C3)C(F)(F)F
InChI
InChI=1S/C21H12F9P/c22-19(23,24)13-1-7-16(8-2-13)31(17-9-3-14(4-10-17)20(25,26)27)18-11-5-15(6-12-18)21(28,29)30/h1-12H
InChI Key
PXYCJKZSCDFXLR-UHFFFAOYSA-N
Boiling Point
382.8 °C at 760 mmHg
Melting Point
70-75 °C
Flash Point
Not applicable
Purity
97 %
Solubility
Insoluble in water.
Appearance
Crystalline powder
LogP
6.50120

Safety Information

Hazards
H315 - H319 - H335 - H413
Precautionary Statement
P261, P264, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word
Warning

Computed Properties

XLogP3
7.3
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
9
Rotatable Bond Count
3
Exact Mass
466.05329084 g/mol
Monoisotopic Mass
466.05329084 g/mol
Topological Polar Surface Area
0Ų
Heavy Atom Count
31
Formal Charge
0
Complexity
478
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes

Patents

Publication Number Title Priority Date
CN-113831272-A Method for synthesizing 2-substituted indole compound by using palladium to catalyze iodobenzene and oxime ester 2021-09-26
CN-113372258-A Indeno [1,2-b ] indole derivative and preparation method and application thereof 2021-06-28
CN-113149882-A Gem-difluoroolefin-pyrroline compound and preparation method and application thereof 2021-02-05
WO-2021219418-A1 Preparation of aromatic carboxyamides by palladium-catalyzed carbonylation reaction 2020-04-29
WO-2021219424-A1 Preparation of aromatic carboxyamides by a palladium-catalyzed carbonylation reaction 2020-04-29
CN-113307804-A Synthetic method and application of fluorine-containing indole quinoline compound 2020-02-27
WO-2021157246-A1 Composition, thermally conductive material, thermally conductive sheet, and device with thermally conductive layer 2020-02-06
WO-2021081500-A1 Mitochondria-targeted atovaquone: a more potent and more effective antitumor, antimicrobial, and antimalarial drug 2019-10-24
CN-112209956-A Method for preparing 2, 6-disubstituted aryl borate compound 2019-07-09
CN-112047802-A Polysubstituted ethylene compound, preparation method and application thereof 2019-06-05

Literatures

PMID Publication Date Title Journal
19331418 2009-04-22 Gold(I)-catalyzed coupling reactions for the synthesis of diverse small molecules using the build/couple/pair strategy Journal of the American Chemical Society
The molarity calculator equation

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

The dilution calculator equation

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

This equation is commonly abbreviated as: C1V1 = C2V2

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