Ammonium tetrafluorosuccinate - ≥95% , CAS No.126996-02-9

CAS: 126996-02-9 Cat. No.: A1246884 Molecular Weight: 224.11 PubChem CID: 2737781

GRADE & PURITY ≥95%

Storage

Room temperature

Shipped In

Normal

Specifications

Specifications & Purity

≥95%

Storage

Room temperature

Shipped In

Normal

Purity

≥95%

Names and Identifiers

• Canonical Smiles: C(=O)(C(C(C(=O)[O-])(F)F)(F)F)[O-].[NH4+].[NH4+]
• IUPAC Name: diazanium;2,2,3,3-tetrafluorobutanedioate
• InChIKey: FQMYEKRVNAZKOD-UHFFFAOYSA-N
• INCHI: 1S/C4H2F4O4.2H3N/c5-3(6,1(9)10)4(7,8)2(11)12;;/h(H,9,10)(H,11,12);2*1H3
• Isomeric SMILES: C(=O)(C(C(C(=O)[O-])(F)F)(F)F)[O-].[NH4+].[NH4+]
• PubChem CID: 2737781
• Molecular Weight: 224.11

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Class Fatty Acyls
      • Subclass Fatty acids and conjugates

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Fatty Acyls
• Subclass: Fatty acids and conjugates
• Intermediate Tree Nodes: Not available
• Direct Parent: Halogenated fatty acids
• Alternative Parents: Dicarboxylic acids and derivatives Alpha-halocarboxylic acids Carboxylic acid salts Carboxylic acids Organofluorides Organic salts Organic oxides Organic nitrogen compounds Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Halogenated fatty acid - Dicarboxylic acid or derivatives - Alpha-halocarboxylic acid - Alpha-halocarboxylic acid or derivatives - Carboxylic acid salt - Carboxylic acid - Carboxylic acid derivative - Organic salt - Organooxygen compound - Organofluoride - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Alkyl fluoride - Alkyl halide - Hydrocarbon derivative - Organic oxide - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as halogenated fatty acids. These are fatty acids with a chain that carries a halogen atom (Cl,F,I,Br).
• 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

• Molecular Weight: 224.110 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 1
• Exact Mass: 224.042 Da
• Monoisotopic Mass: 224.042 Da
• Topological Polar Surface Area: 82.300 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 188.000
• 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: 3

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