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

CAS: 376-73-8 Cat. No.: H157393 Formula: C₅H₂F₆O₄ Peso molecolare: 240.06 Beilstein Registry Number: 2(4)1942 Numero EC: 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

Sinonimi

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

Specifiche e purezza

≥97%(T)

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥97%(T)

Nomi e identificatori

Pubchem Sid

488184017

Pubchem Sid Url

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

Sorrisi canonici

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)

Isomeri SMILES

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

Peso molecolare

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
    • Classe Fatty Acyls
      • Subclass Fatty acids and conjugates

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: 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
• Descrizione: 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

Proprietà chimiche e fisiche

• Sensibilità: Hygroscopic
• Punto di ebollizione (°C): 134-138 °C/3 mmHg
• Punto di fusione (°C): 95-99℃
• Peso molecolare: 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