POTASSIUM 4-METHYLPHENYLTRIFLUOROBORATE

Inquiry

Molecular Formula:

C7H7BF3K

Molecular Weight:

198.03

CAS Number:

216434-82-1

Catalog Number:

216434-82-1

Product Information

Molecular Formula:

C7H7BF3K

Molecular Weight:

198.03

Description

Potassium p-tolyltrifluoroborate can be used:• As a precursor/starting material for the synthesis of biaryl compounds by reacting with various aryl halides using Pd/C catalyst.• As a reagent in the carbonylative arylation of vinyl ketones via 1,4-addition.• As a substrate in the synthesis of primary arylamines by reacting with hydroxylamine-O-sulfonic acid under metal-free conditions.

Synonyms

POTASSIUM 4-METHYLPHENYLTRIFLUOROBORATE; POTASSIUM P-TOLYLTRIFLUOROBORATE; Potassium p-tolytrifluoroborate; 4-Methylphenyltrifluoroboric acid potassium salt~p-Tolyltrifluoroboric acid potassium salt; 4-methylphenyltrifluoroboric acid potassium salt; p-tolyltr

IUPAC Name

potassiumtrifluoro-(4-methylphenyl)boranuide

Canonical SMILES

[B-](C1=CC=C(C=C1)C)(F)(F)F.[K+]

InChI

InChI=1S/C7H7BF3.K/c1-6-2-4-7(5-3-6)8(9,10)11;/h2-5H,1H3;/q-1;+1

InChI Key

KRWDYXJWQBTBAH-UHFFFAOYSA-N

Melting Point

>300°C

Flash Point

Not applicable

Purity

>98.0%(LC)

Safety Information

Hazards

H315 - H319 - H335

Precautionary Statement

P302 + P352 - P305 + P351 + P338

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

198.0229964 g/mol

Monoisotopic Mass

198.0229964 g/mol

Topological Polar Surface Area

0Å²

Heavy Atom Count

Formal Charge

Complexity

129

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
CN-113150018-A	Four-coordination N, N-chelating monoaryl monofluoroborate compound and preparation method thereof	2021-02-26
CN-111620896-A	Preparation method of tetra-coordinated N, N-chelated diaryl borate compound with 8-aminoquinoline derivative as bidentate ligand	2020-06-11
CN-110256306-B	Ortho-sulfonamide substituted diaryl iodine compound and preparation method and application thereof	2019-06-27
CN-109265476-B	Monofluoroboron fluorescent dye and preparation method and application thereof	2018-10-30
WO-2019237019-A1	Traceless immobilization of analytes for samdi mass spectrometry	2018-06-07
WO-2019237019-A9	Traceless immobilization of analytes for samdi mass spectrometry	2018-06-07
US-2021231677-A1	Traceless immobilization of analytes for samdi mass spectrometry	2018-06-07
CN-108218717-B	Method for preparing asymmetric terphenyl compound by using bromoarylsulfonyl fluoride	2018-01-19
WO-2019084476-A1	ANTAGONISTS OF FIBROBLAST GROWTH FACTOR 23 AND RELATED COMPOSITIONS AND METHODS	2017-10-26
JP-2016150925-A	Method for producing borate salt	2015-02-18

Literatures

PMID	Publication Date	Title	Journal
5215	1976-06-01	Reactions to cigarettes as a function of nicotine and 'tar'	Clinical pharmacology and therapeutics

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