Potassium bisulfate - AR, ≥99% , CAS No.7646-93-7

CAS: 7646-93-7 Cat. No.: P100003 Formula: KHSO₄ Molecular Weight: 136.17 EC Number: 231-594-1

GRADE & PURITY AR, ≥99%

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

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

AR, ≥99%

Storage

Room temperature

Shipped In

FedEx DG Service

Grade

AR

Purity

≥99%

Names and Identifiers

Pubchem Sid

504758983

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504758983

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

• Sensitivity: Moisture sensitive.
• x_melt_point_char: 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

XLogP3