Sodium pentafluoropropionate - ≥95% , CAS No.378-77-8

CAS: 378-77-8 Cat. No.: S588939 Molecular Weight: 186.01 Beilstein Registry Number: 3636648 EC Number: 206-830-1 PubChem CID: 2733305

GRADE & PURITY ≥95%

Synonyms

2,2,3,3,3-pentafluoropropanoate;Sodium Pentafluoropropanoate | sodium pentafluoroproprionate | AKOS005063410 | DTXSID40880141 | CF3CF2COONa | Sodium perfluoropropanoate | AC9194 | sodium 2,2,3,3,3-pentafluoropropanoate | Sodium pentafluoropropionate | FT-

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Overview

Sodium pentafluoropropionate is an aryl fluorinated building block.
Application
Sodium pentafluoropropionate may be used in the preparation of:tributyltin pentafluoropropionate (Bu3SnO2CC2F5)；trimethyltin pentafluoropropionate；new o-fluoroalkyl-benzenesulfonamide precursors

Specifications

Synonyms

2, 2, 3, 3, 3-pentafluoropropanoate;Sodium Pentafluoropropanoate | sodium pentafluoroproprionate | AKOS005063410 | DTXSID40880141 | CF3CF2COONa | Sodium perfluoropropanoate | AC9194 | sodium 2, 2, 3, 3, 3-pentafluoropropanoate | Sodium pentafluoropropionate | FT-

Specifications & Purity

≥95%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥95%

Names and Identifiers

• Canonical Smiles: C(=O)(C(C(F)(F)F)(F)F)[O-].[Na+]
• IUPAC Name: sodium;2,2,3,3,3-pentafluoropropanoate
• InChIKey: SCWLIHXXYXFUFV-UHFFFAOYSA-M
• INCHI: 1S/C3HF5O2.Na/c4-2(5,1(9)10)3(6,7)8;/h(H,9,10);/q;+1/p-1
• Isomeric SMILES: C(=O)(C(C(F)(F)F)(F)F)[O-].[Na+]
• WGK Germany: 3
• PubChem CID: 2733305
• Molecular Weight: 186.01
• Beilstein: 3636648

Taxonomic Classification

Taxonomy Tree

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

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

Chemical and Physical Properties

• Sensitivity: Moisture sensitive
• Molecular Weight: 186.010 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 1
• Exact Mass: 185.972 Da
• Monoisotopic Mass: 185.972 Da
• Topological Polar Surface Area: 40.100 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 152.000
• 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: 2

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