Sodium perfluoroheptanoate - ≥95% , CAS No.20109-59-5

CAS: 20109-59-5 Cat. No.: S1028170 Número EC: 243-518-4 PubChem CID: 23672327

GRADE & PURITY ≥95%

Storage

Room temperature

Specifications

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: C(=O)(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)[O-].[Na+]
• IUPAC Name: sodium;2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanoate
• InChIKey: LKGSCUOIQGNNEK-UHFFFAOYSA-M
• INCHI: 1S/C7HF13O2.Na/c8-2(9,1(21)22)3(10,11)4(12,13)5(14,15)6(16,17)7(18,19)20;/h(H,21,22);/q;+1/p-1
• Isómeros SMILES: C(=O)(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)[O-].[Na+]
• CAS alternativo: 20109-59-5,375-85-9 (Parent)
• PubChem CID: 23672327
• Términos de entrada MeSH: 2-(perfluorohexyl)ethanoic acid;2-perfluorohexyl ethanoic acid;2-perfluorohexylethanoic acid;3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctanoic acid;ammonium perfluoroheptanoate;ammonium tridecafluoroheptanoate;heptanoic acid, 2,2,3,3,4,4,5,5,6,6,7,7,7-tride

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Clase Alkyl halides
      • Subclass Alkyl fluorides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Clase: Alkyl halides
• Subclass: Alkyl fluorides
• Intermediate Tree Nodes: Not available
• Direct Parent: Perfluoroalkyl carboxylic acid and derivatives
• Alternative Parents: Medium-chain fatty acids Halogenated fatty acids Alpha-halocarboxylic acids Carboxylic acid salts Organic metal halides Monocarboxylic acids and derivatives Carboxylic acids Organofluorides Organic sodium salts Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic cations
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Perfluoroalkyl carboxylic acid or derivatives - Medium-chain fatty acid - Halogenated fatty acid - Fatty acid - Fatty acyl - Alpha-halocarboxylic acid - Alpha-halocarboxylic acid or derivatives - Carboxylic acid salt - Organic alkali metal salt - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic metal halide - Organic salt - Hydrocarbon derivative - Organooxygen compound - Organofluoride - Organic oxide - Carbonyl group - Organic oxygen compound - Organic sodium salt - Organic cation - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as perfluoroalkyl carboxylic acid and derivatives. These are organic compounds containing an alkyl chain attached to the C-alpha of a carboxylic acid group (or a derivative thereof), where all hydrogens of the alkyl chain are replaced by fluorine atoms.
• 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

Propiedades químicas y físicas

• Peso molecular: 386.040 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 15
• Rotatable Bond Count: 5
• Exact Mass: 385.959 Da
• Monoisotopic Mass: 385.959 Da
• Topological Polar Surface Area: 40.100 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 454.000
• 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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