Tri-o-tolylphosphine tetrafluoroborate

Inquiry

Molecular Formula:

C21H21BF4P-

Molecular Weight:

392.18

CAS Number:

1255640-57-3

Catalog Number:

1255640-57-3

Product Information

Molecular Formula:

C21H21BF4P-

Molecular Weight:

392.18

Description

Reactant for preparation of stable cationic complex as an intermediate in Pd/PR3-catalyzed telomerization of 1,3-butadiene

Synonyms

Tri(2-methylphenyl)phosphine tetrafluoroborate

IUPAC Name

tris(2-methylphenyl)phosphanetetrafluoroborate

Canonical SMILES

[B-](F)(F)(F)F.CC1=CC=CC=C1P(C2=CC=CC=C2C)C3=CC=CC=C3C

InChI

InChI=1S/C21H21P.BF4/c1-16-10-4-7-13-19(16)22(20-14-8-5-11-17(20)2)21-15-9-6-12-18(21)3;2-1(3,4)5/h4-15H,1-3H3;/q;-1

InChI Key

GKILWVIIRMROID-UHFFFAOYSA-N

Melting Point

197-212 °C

Purity

95%

Safety Information

Hazards

H302-H315-H319-H335-H413

Precautionary Statement

P261-P305 + P351 + P338

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

391.1410055 g/mol

Monoisotopic Mass

391.1410055 g/mol

Topological Polar Surface Area

0Å²

Heavy Atom Count

Formal Charge

-1

Complexity

306

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
WO-2020152200-A1	Process for preparation of heteroarylketones	2019-01-25
WO-2019016115-A1	PROCESS FOR THE PREPARATION OF SUBSTITUTED ARYLE KETONES	2017-07-21

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The dilution calculator equation

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This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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