4-Nitrophenyl Sulfate Potassium Salt - ≥98% , CAS No.6217-68-1

CAS: 6217-68-1 Cat. No.: P133527 Molecular Weight: 257.26

GRADE & PURITY ≥98%

Synonyms

NSC 121598 | Sulfuric Acid 4-Nitrophenyl Ester Potassium Salt | N0425 | P-NITROPHENYL SULFATE POTASSIUM SALT | Potassium 4-nitrophenyl sulphate | AS-62672 | 7-TRIFLUOROMETHOXY-1H-INDAZOLE-3-CARBOXYLICACID | DTXSID4064139 | J-524010 | Phenol, p-nitro-, hyd

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

NSC 121598 | Sulfuric Acid 4-Nitrophenyl Ester Potassium Salt | N0425 | P-NITROPHENYL SULFATE POTASSIUM SALT | Potassium 4-nitrophenyl sulphate | AS-62672 | 7-TRIFLUOROMETHOXY-1H-INDAZOLE-3-CARBOXYLICACID | DTXSID4064139 | J-524010 | Phenol, p-nitro-, hyd

Specifications & Purity

≥98%

Storage

Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

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

Purity

≥98%

Names and Identifiers

• Canonical Smiles: C1=CC(=CC=C1[N+](=O)[O-])OS(=O)(=O)[O-].[K+]
• IUPAC Name: potassium;(4-nitrophenyl) sulfate
• InChIKey: BITVAZYUWRLLCN-UHFFFAOYSA-M
• INCHI: 1S/C6H5NO6S.K/c8-7(9)5-1-3-6(4-2-5)13-14(10,11)12;/h1-4H,(H,10,11,12);/q;+1/p-1
• Isomeric SMILES: C1=CC(=CC=C1[N+](=O)[O-])OS(=O)(=O)[O-].[K+]
• Molecular Weight: 257.26
• Reaxy-Rn: 3786392
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3786392&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Organic sulfuric acids and derivatives
      • Subclass Arylsulfates

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Organic sulfuric acids and derivatives
• Subclass: Arylsulfates
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylsulfates
• Alternative Parents: Nitrobenzenes Phenoxy compounds Nitroaromatic compounds Sulfuric acid monoesters Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic potassium salts Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenylsulfate - Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Monocyclic benzene moiety - Sulfuric acid monoester - Sulfate-ester - Benzenoid - Sulfuric acid ester - C-nitro compound - Organic nitro compound - Organic oxoazanium - Organic alkali metal salt - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organic salt - Organic potassium salt - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylsulfates. These are compounds containing a sulfuric acid group conjugated to a phenyl group.
• 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

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Heat and Air sensitive
• Melt Point(°C): 251 °C
• Molecular Weight: 257.260 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 256.94 Da
• Monoisotopic Mass: 256.94 Da
• Topological Polar Surface Area: 121.000 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 280.000
• 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: 2

XLogP3

References

1. Songzhi Li, Yang Guo, Hong Jiang, Huan Zhang, Jiayu Li, Yanli Chen, Jie Li, Xiangzhao Mao, Minxiao Wang.  (2025)  Mining Arylsulfatase from Genome-Scale Metabolic Pathways of Pseudoalteromonas sp. SR43-6 and Its Agar-Based Desulfurization Applications.  ACS Omega,      [PMID:40352500] [10.1021/acsomega.5c01356]