4-sulfo-1,8-naphthalic anhydride, potassium salt,

Inquiry

Molecular Formula:

C12H5KO6S

Molecular Weight:

316.33

CAS Number:

71501-16-1

Catalog Number:

71501-16-1

Product Information

Molecular Formula:

C12H5KO6S

Molecular Weight:

316.33

Description

4-sulfo-1,8-naphthalic anhydride, potassium salt, is a potent pharmaceutical compound used in the drug development of certain diseases, such as cancer and inflammation. It exhibits exceptional anti-tumor and anti-inflammatory properties, making it a valuable ingredient in various biomedical applications within the pharmaceutical industry.

Synonyms

potassium 1,3-dioxo-1h,3h-naphtho[1,8-cd]pyran-6-sulphonate; 1,8-Naphthalicanhydride-4-sulfonicacid,potassiumsalt; 1H,3H-Naphtho[1,8-cd]pyran-6-sulfonicacid,1,3-dioxo-,potassiumsalt; 3h-naphtho[1,8-cd]pyran-6-sulfonicacid,1,3,-dioxo-1potassiumsalt; 4-SULFO-1

IUPAC Name

potassium2,4-dioxo-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene-8-sulfonate

Canonical SMILES

C1=CC2=C(C=CC3=C2C(=C1)C(=O)OC3=O)S(=O)(=O)[O-].[K+]

InChI

InChI=1S/C12H6O6S.K/c13-11-7-3-1-2-6-9(19(15,16)17)5-4-8(10(6)7)12(14)18-11/h1-5H,(H,15,16,17)/q+1/p-1

InChI Key

WOHXJVJXAWXEQP-UHFFFAOYSA-M

Melting Point

207-210ºC

Flash Point

Not applicable

Purity

98%

Appearance

straw yellow white uniform powder

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

315.94439053 g/mol

Monoisotopic Mass

315.94439053 g/mol

Topological Polar Surface Area

109Å²

Heavy Atom Count

Formal Charge

Complexity

525

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

The molarity calculator equation

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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4-sulfo-1,8-naphthalic anhydride, potassium salt,

Product Information

Safety Information

Computed Properties

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