Potassium bisulfate - Reagent grade , CAS No.7646-93-7

CAS: 7646-93-7 Cat. No.: P433728 Formula: KHSO₄ Molecular Weight: 136.17 EC Number: 231-594-1

GRADE & PURITY Reagent Grade

Synonyms

Potassium hydrogensulphate | potassium hydrogen-sulphate | Potassium bisulfate | Sal enixum | UNII-1J1K03241F | Acid potassium sulfate | 1J1K03241F | INS NO.515(II) | UREA, N-(3-(4-BROMO-1-METHYL-1H-PYRAZOL-5-YL)-4-METHOXYPHENYL)-N'-(2,4-DIFLUOROPHENYL)-

Storage

Room temperature

Shipped In

FedEx DG Service

Overview

Potassium bisulfate is an inorganic potassium salt. On heating it from 300 to 700°C, it transforms to molten form and the reactions occurring in this transition have been investigated by Raman spectra. Its electrical conductance values have been evaluated (T = 0-700C, Pressure = upto 4000bars). Potassium bisulfate is a water soluble inorganic salt mainly used as a preservative, as a flux and also in the manufacture of fertilizers.

Application

Potassium bisulfate may be used: As a catalyst for the preparation of butyl paraben from p -hydroxybenzoic acid and n -butyl alcohol. As a promoter for the synthesis of 3,4-dihydropyrimidin-2(1 H )-one derivatives via Biginelli reaction in ethylene glycol. As an acid catalyst for the synthesis of ethyl tert -butyl ether (ETBE) from ethanol and tert -butyl alcohol via reactive distillation. As a dehydrating agent for the synthesis of pyruvic acid from tartaric acid. Potassium bisulfate (Potassium hydrogen sulfate) may be employed as a catalyst in the synthesis of butyl paraben and methyl cinnamate. It may also be used for the gravimetric estimation of beryllium in beryl.

Specifications

Synonyms

Potassium hydrogensulphate | potassium hydrogen-sulphate | Potassium bisulfate | Sal enixum | UNII-1J1K03241F | Acid potassium sulfate | 1J1K03241F | INS NO.515(II) | UREA, N-(3-(4-BROMO-1-METHYL-1H-PYRAZOL-5-YL)-4-METHOXYPHENYL)-N'-(2,4-DIFLUOROPHENYL)-

Specifications & Purity

Reagent grade

Storage

Room temperature

Shipped In

FedEx DG Service

Grade

Reagent Grade

Names and Identifiers

• Canonical Smiles: OS(=O)(=O)[O-].[K+]
• IUPAC Name: potassium;hydrogen sulfate
• InChIKey: CHKVPAROMQMJNQ-UHFFFAOYSA-M
• INCHI: 1S/K.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+1;/p-1
• Isomeric SMILES: OS(=O)(=O)[O-].[K+]
• WGK Germany: 1
• RTECS: TS7200000
• UN Number: 2509
• Packing Group: II
• Molecular Weight: 136.17
• Reaxy-Rn: 11343361
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11343361&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Inorganic compounds
  • Superclass Mixed metal/non-metal compounds
    • Class Alkali metal oxoanionic compounds
      • Subclass Alkali metal sulfates

• Kingdom: Inorganic compounds
• Superclass: Mixed metal/non-metal compounds
• Class: Alkali metal oxoanionic compounds
• Subclass: Alkali metal sulfates
• Intermediate Tree Nodes: Not available
• Direct Parent: Alkali metal sulfates
• Alternative Parents: Inorganic salts Inorganic oxides
• Molecular Framework: Not available
• Substituents: Alkali metal sulfate - Inorganic oxide - Inorganic salt
• Description: This compound belongs to the class of inorganic compounds known as alkali metal sulfates. These are inorganic compounds in which the largest oxoanion is sulfate, and in which the heaviest atom not in an oxoanion is an alkali metal.
• 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

• Melt Point(°C): 214 °C
• Molecular Weight: 136.170 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 135.923 Da
• Monoisotopic Mass: 135.923 Da
• Topological Polar Surface Area: 85.800 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 93.200
• 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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