Hexafluoroglutarsäure - ≥97%(T) , CAS No.376-73-8

CAS: 376-73-8 Cat. No.: H157393 Summenformel: C₅H₂F₆O₄ Molekulargewicht: 240.06 Beilstein Registry Number: 2(4)1942 EG-Nummer: 206-813-9

GRADE & PURITY ≥97%(T)

Synonyms

Perfluoroglutaric acid | 2,2,3,3,4,4-Hexafluoropentanedioic acid

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

Perfluoroglutaric acid | 2,2,3,3,4,4-Hexafluoropentanedioic acid

Spezifikationen & Reinheit

≥97%(T)

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥97%(T)

Namen und Kennungen

Pubchem Sid

488184017

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488184017

Kanonisches Lächeln

C(=O)(C(C(C(C(=O)O)(F)F)(F)F)(F)F)O

IUPAC Name

2,2,3,3,4,4-hexafluoropentanedioic acid

InChIKey

CCUWGJDGLACFQT-UHFFFAOYSA-N

INCHI

1S/C5H2F6O4/c6-3(7,1(12)13)5(10,11)4(8,9)2(14)15/h(H,12,13)(H,14,15)

Isomere SMILES

C(=O)(C(C(C(C(=O)O)(F)F)(F)F)(F)F)O

Molekulargewicht

240.06

Beilstein

2(4)1942

Reaxy-Rn

1801049

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1801049&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Klasse: 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 acids Organofluorides Organic oxides 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 - Carboxylic acid derivative - Organofluoride - Organohalogen compound - Organic oxide - Organic oxygen compound - Carbonyl group - Alkyl fluoride - Alkyl halide - Organooxygen compound - Hydrocarbon derivative - Aliphatic acyclic compound
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Hygroscopic
• Siedepunkt (°C): 134-138 °C/3 mmHg
• Schmelzpunkt (°C): 95-99℃
• Molekulargewicht: 240.060 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 4
• Exact Mass: 239.986 Da
• Monoisotopic Mass: 239.986 Da
• Topological Polar Surface Area: 74.600 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 270.000
• 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: 1