Pentafluoropropionic acid - ≥97% , CAS No.422-64-0

CAS: 422-64-0 Cat. No.: P100790 Fórmula: C₃HF₅O₂ Peso molecular: 164.03 Beilstein Registry Number: 1773387 Número CE: 207-021-6

GRADE & PURITY ≥97%

Synonyms

CVNLJCBQMJOXDW-UHFFFAOYSA-N | Z406679890 | AS-48927 | LRMSQVBRUNSOJL-UHFFFAOYSA- | Perfluoropropionic acid | 2,2,3,3,3-Pentafluoropropanoic acid # | InChI=1/C3HF5O2/c4-2(5,1(9)10)3(6,7)8/h(H,9,10) | (Pentafluoropropionyloxy)radical | BRN 1773387 | MFCD000

Storage

Argon charged,Room temperature

Shipped In

Normal

Visão geral

The kinetics of the reaction of pentafluoropropionic acid with fluorine atoms was studied.
Pentafluoropropionic acid was used in the analysis of gentamicin with Gemini column by liquid chromatographic (LC) methods

Specifications

Sinónimos

CVNLJCBQMJOXDW-UHFFFAOYSA-N | Z406679890 | AS-48927 | LRMSQVBRUNSOJL-UHFFFAOYSA- | Perfluoropropionic acid | 2,2,3,3,3-Pentafluoropropanoic acid # | InChI=1/C3HF5O2/c4-2(5,1(9)10)3(6,7)8/h(H,9,10) | (Pentafluoropropionyloxy)radical | BRN 1773387 | MFCD000

Especificações e pureza

≥97%

Condições de armazenamento de armazenamento

Argon charged,Room temperature

Enviado em

Normal

Pureza

≥97%

Nomes e identificadores

Pubchem Sid

488183568

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488183568

Sorrisos canónicos

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

IUPAC Name

2,2,3,3,3-pentafluoropropanoic acid

InChIKey

LRMSQVBRUNSOJL-UHFFFAOYSA-N

INCHI

1S/C3HF5O2/c4-2(5,1(9)10)3(6,7)8/h(H,9,10)

SMILES isoméricas

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

WGK Alemanha

3

RTECS

UF6475000

Número UN

3265

Peso molecular

164.03

Beilstein

1773387

Reaxy-Rn

1773387

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1773387&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Classe: Alkyl halides
• Subclass: Alkyl fluorides
• Intermediate Tree Nodes: Not available
• Direct Parent: Perfluoroalkyl carboxylic acid and derivatives
• Alternative Parents: Alpha-halocarboxylic acids Monocarboxylic acids and derivatives Carboxylic acids Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Perfluoroalkyl carboxylic acid or derivatives - Alpha-halocarboxylic acid or derivatives - Alpha-halocarboxylic acid - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organofluoride - Carbonyl group - Aliphatic acyclic compound
• Descrição: 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

Propriedades químicas e físicas

• Solubilidade: Soluble in water; Soluble in Ether,Chloroform,Benzene,Acetone,Ethanol
• Sensibilidade: Moisture sensitive
• Índice de refração: 1.283-1.286
• Ponto de ebulição (°C): 96°C
• Peso molecular: 164.030 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 1
• Exact Mass: 163.99 Da
• Monoisotopic Mass: 163.99 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 147.000
• 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