Potassium 2-chlorothiophene-5-trifluoroborate

Inquiry

Molecular Formula:

C4H2BClF3KS

Molecular Weight:

224.48

CAS Number:

1190883-05-6

Catalog Number:

1190883-05-6

Product Information

Molecular Formula:

C4H2BClF3KS

Molecular Weight:

224.48

Description

Potassium 2-chlorothiophene-5-trifluoroborate is a potent and dynamic compound that finds its essential utility in the realms of biomedicine, where it fervently aids in the exigent endeavor of drug development against a spectrum of afflictions. This compound stands as an indispensable ingredient in the meticulous synthesis of pharmaceutical intermediates and the construction of intricate building blocks. Remarkably, it assumes an intrinsic position in the virtuous pursuit of pioneering therapeutic agents, incisively honing in on the enigmatic pathologies of cancer, inflammation, and neurological maladies.

Synonyms

potassium; (5-chlorothiophen-2-yl)-trifluoroboranuide; Potassium2-chlorothiophene-5-trifluoroborate; 1190883-05-6; MolPort-027-353-097; AKOS017548393

IUPAC Name

potassium(5-chlorothiophen-2-yl)-trifluoroboranuide

Canonical SMILES

[B-](C1=CC=C(S1)Cl)(F)(F)F.[K+]

InChI

InChI=1S/C4H2BClF3S.K/c6-4-2-1-3(10-4)5(7,8)9;/h1-2H;/q-1;+1

InChI Key

CBFRQOVNXITSBL-UHFFFAOYSA-N

Melting Point

170-175 °C

Purity

95%

Safety Information

Hazards

H315-H319-H335

Precautionary Statement

P261-P305 + P351 + P338

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

223.9247951 g/mol

Monoisotopic Mass

223.9247951 g/mol

Topological Polar Surface Area

28.2Å²

Heavy Atom Count

Formal Charge

Complexity

133

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

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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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Potassium 2-chlorothiophene-5-trifluoroborate

Product Information

Safety Information

Computed Properties

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