Ácido pentafluoropropiónico - ≥97% , CAS No.422-64-0

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

Descripción general

Se estudió la cinética de la reacción del ácido pentafluoropropiónico con átomos de flúor.
El ácido pentafluoropropiónico se utilizó en el análisis de gentamicina con columna Gemini mediante métodos de cromatografía líquida (CL)

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

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Argon charged,Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

Pubchem Sid

488183568

Pubchem Sid Url

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

Sonrisas canónicas

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)

Isómeros SMILES

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

WGK Alemania

3

RTECS

UF6475000

Número ONU

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
    • 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: 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
• 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

• Solubilidad: Soluble in water; Soluble in Ether,Chloroform,Benzene,Acetone,Ethanol
• Sensibilidad: Moisture sensitive
• Índice de refracción: 1.283-1.286
• Punto de ebullición (°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