4-Nitrocatechol Sulfate Dipotassium Salt Hydrate - ≥95%(HPLC) , CAS No.14528-64-4

CAS: 14528-64-4 Cat. No.: N159253 Molecular Weight: 311.35 EC Number: 238-550-0

GRADE & PURITY ≥95%(HPLC)

Synonyms

4-Nitrocatechol Sulfate Dipotassium Salt Hydrate [Substrate for Sulfatase] | EN300-12475946 | N0428 | AKOS024418751 | dipotassium 4-nitro-2-(sulfooxy)benzen-1-olate | Potassium 5-nitro-2-oxidophenyl sulfate | 2-Hydroxy-5-nitrophenyl sulfate dipotassium sa

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

4-Nitrocatechol sulfate is an aromatic sulfate.

Product Application:

4-Nitrocatechol sulfate dipotassium salt dihydrate is a chromogenic sulfatase substrate. It is used as chemical, organic intermediates.

Specifications

Synonyms

4-Nitrocatechol Sulfate Dipotassium Salt Hydrate [Substrate for Sulfatase] | EN300-12475946 | N0428 | AKOS024418751 | dipotassium 4-nitro-2-(sulfooxy)benzen-1-olate | Potassium 5-nitro-2-oxidophenyl sulfate | 2-Hydroxy-5-nitrophenyl sulfate dipotassium sa

Specifications & Purity

≥95%(HPLC)

Storage

Protected from light, Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥95%(HPLC)

Names and Identifiers

• Pubchem Sid: 504768407
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504768407
• Canonical Smiles: C1=CC(=C(C=C1[N+](=O)[O-])OS(=O)(=O)[O-])[O-].[K+].[K+]
• IUPAC Name: dipotassium;(5-nitro-2-oxidophenyl) sulfate
• InChIKey: CKWWBDCAYRJAJB-UHFFFAOYSA-L
• INCHI: 1S/C6H5NO7S.2K/c8-5-2-1-4(7(9)10)3-6(5)14-15(11,12)13;;/h1-3,8H,(H,11,12,13);;/q;2*+1/p-2
• Isomeric SMILES: C1=CC(=C(C=C1[N+](=O)[O-])OS(=O)(=O)[O-])[O-].[K+].[K+]
• Molecular Weight: 311.35
• Reaxy-Rn: 3805018
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3805018&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Phenols
      • Subclass Nitrophenols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Phenols
• Subclass: Nitrophenols
• Intermediate Tree Nodes: Not available
• Direct Parent: Metal p-nitrophenoxides
• Alternative Parents: Phenylsulfates Nitrobenzenes Phenoxy compounds Nitroaromatic compounds Phenoxides Sulfuric acid monoesters Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organooxygen compounds Organonitrogen compounds Organic potassium salts Organic oxides Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Metal p-nitrophenoxide - Phenylsulfate - Arylsulfate - Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Phenoxide - Monocyclic benzene moiety - Sulfuric acid monoester - Sulfate-ester - Sulfuric acid ester - Organic sulfuric acid or derivatives - C-nitro compound - Organic nitro compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic alkali metal salt - Organic oxoazanium - Organic nitrogen compound - Organic oxygen compound - Organic salt - Organooxygen compound - Organonitrogen compound - Organic potassium salt - Hydrocarbon derivative - Organic oxide - Organic cation - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as metal p-nitrophenoxides. These are para-nitrophenoxide derivatives that are linked to a metal atom.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Solubility: Soluble in water (100 mg/ml).
• Sensitivity: Light sensitive
• Melt Point(°C): >300°C
• Molecular Weight: 311.350 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 1
• Exact Mass: 310.89 Da
• Monoisotopic Mass: 310.89 Da
• Topological Polar Surface Area: 144.000 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 315.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 3

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