Potassium Phenyl Sulfate - ≥98% , CAS No.1733-88-6

CAS: 1733-88-6 Cat. No.: P305175 Molecular Weight: 212.26 EC Number: 217-071-0 PubChem CID: 23678854

GRADE & PURITY ≥98%

Synonyms

Sulfuric acid, monophenyl ester, potassium salt (1:1) | AKOS032957231 | UNII-595P0I7E9K | MFCD00070590 | Sulfuric acid, monophenyl ester, potassium salt | Potassium phenyl sulfate | T71922 | NSC-26568 | SCHEMBL10359278 | NSC 26568 | Phenyl potassium sulfa

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

Sulfuric acid, monophenyl ester, potassium salt (1:1) | AKOS032957231 | UNII-595P0I7E9K | MFCD00070590 | Sulfuric acid, monophenyl ester, potassium salt | Potassium phenyl sulfate | T71922 | NSC-26568 | SCHEMBL10359278 | NSC 26568 | Phenyl potassium sulfa

Specifications & Purity

≥98%

Storage

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

≥98%

Names and Identifiers

• Canonical Smiles: C1=CC=C(C=C1)OS(=O)(=O)[O-].[K+]
• IUPAC Name: potassium;phenyl sulfate
• InChIKey: NOUFXYHWAWIDNT-UHFFFAOYSA-M
• INCHI: 1S/C6H6O4S.K/c7-11(8,9)10-6-4-2-1-3-5-6;/h1-5H,(H,7,8,9);/q;+1/p-1
• Isomeric SMILES: C1=CC=C(C=C1)OS(=O)(=O)[O-].[K+]
• PubChem CID: 23678854
• Molecular Weight: 212.26

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: Phenoxy compounds Sulfuric acid monoesters Organooxygen compounds Organic potassium salts Organic oxides Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenylsulfate - Phenoxy compound - Monocyclic benzene moiety - Sulfuric acid monoester - Sulfate-ester - Sulfuric acid ester - Benzenoid - Organic alkali metal salt - Organic oxygen compound - Organooxygen compound - Organic salt - Organic potassium salt - Hydrocarbon derivative - Organic oxide - Organic cation - 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

Chemical and Physical Properties

• Solubility: Soluble in water
• Sensitivity: Moisture Sensitive,Heat Sensitive
• Melt Point(°C): 160°C(lit.)
• Molecular Weight: 212.270 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 211.955 Da
• Monoisotopic Mass: 211.955 Da
• Topological Polar Surface Area: 74.800 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 202.000
• 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

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