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

CAS: 422-64-0 Cat. No.: P100790 分子式: C₃HF₅O₂ 分子量: 164.03 Beilstein Registry Number: 1773387 EC番号: 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

概要

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

同義語

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

仕様と純度

≥97%

保管条件

Argon charged,Room temperature

入荷

Normal

純度

≥97%

名前と識別子

パブケム・シド

488183568

パブケム・シド・ウル

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

カノニカル・スマイル

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)

異性体SMILES

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

WGKドイツ

3

RTECS

UF6475000

UN番号

3265

分子量

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
    • 分類 Alkyl halides
      • Subclass Alkyl fluorides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• 分類: 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
• 説明: 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

化学的性質と物理的性質

• 溶解度: Soluble in water; Soluble in Ether,Chloroform,Benzene,Acetone,Ethanol
• 感度: Moisture sensitive
• 屈折率: 1.283-1.286
• 沸点（°C）: 96°C
• 分子量: 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