Potassium biphthalate（KHP） - PureSpectra™, Spectrum pure , CAS No.877-24-7

CAS: 877-24-7 Cat. No.: P112249 Summenformel: HOOCC₆H₄COOK Molekulargewicht: 204.22 Beilstein Registry Number: 3637128 EG-Nummer: 212-889-4

GRADE & PURITY PureSpectra™, Spectrum pure

Synonyms

KHP | F1905-7235 | Hydrogen potassium phthalate | 1,2-Benzenedicarboxylic acid, monopotassium salt | KHP | 1,2-Benzenedicarboxylic acid, potassium salt (1:1) | N,N,N',N'-Tetramethyl-O-(benzotriazol-1-yl)uronium Hexafluorophosphate | DTXCID8022167 | P0309

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

KHP | F1905-7235 | Hydrogen potassium phthalate | 1,2-Benzenedicarboxylic acid, monopotassium salt | KHP | 1,2-Benzenedicarboxylic acid, potassium salt (1:1) | N,N,N',N'-Tetramethyl-O-(benzotriazol-1-yl)uronium Hexafluorophosphate | DTXCID8022167 | P0309

Spezifikationen & Reinheit

PureSpectra™, Spectrum pure

Storage

Room temperature

Verschickt in

Normal

Note

PureSpectra™, Spectrum pure

Namen und Kennungen

Pubchem Sid

508816712

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508816712

Kanonisches Lächeln

C1=CC=C(C(=C1)C(=O)O)C(=O)[O-].[K+]

IUPAC Name

potassium;2-carboxybenzoate

InChIKey

IWZKICVEHNUQTL-UHFFFAOYSA-M

INCHI

1S/C8H6O4.K/c9-7(10)5-3-1-2-4-6(5)8(11)12;/h1-4H,(H,9,10)(H,11,12);/q;+1/p-1

Isomere SMILES

C1=CC=C(C(=C1)C(=O)O)C(=O)[O-].[K+]

WGK Deutschland

2

RTECS

CZ4326000

Molekulargewicht

204.22

Beilstein

3637128

Reaxy-Rn

3637128

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3637128&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoic acids
• Alternative Parents: Benzoyl derivatives Dicarboxylic acids and derivatives Carboxylic acid salts Carboxylic acids Organooxygen compounds Organic potassium salts Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzoic acid - Benzoyl - Dicarboxylic acid or derivatives - Carboxylic acid salt - Organic alkali metal salt - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic potassium salt - Organic salt - Organooxygen compound - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as benzoic acids. These are organic Compounds containing a benzene ring which bears at least one carboxyl 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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Moisture sensitive.
• Schmelzpunkt (°C): 295-300°C
• Molekulargewicht: 204.220 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 203.982 Da
• Monoisotopic Mass: 203.982 Da
• Topological Polar Surface Area: 77.400 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 204.000
• 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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