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Sodium heptafluorobutyrate, with the chemical formula C4F7NaO2, is a fluorinated organic compound that serves as a reagent in organic synthesis and a fluorine source in fluoride synthesis. It is characterized by its white crystalline solid form and solubility in polar solvents like water and acetone. Known for its catalytic properties in various chemical reactions, such as nucleophilic substitutions and esterifications, it plays a significant role in the synthesis of pharmaceuticals, agrochemicals, polymers, and surfactants. Furthermore, it is an essential intermediate in the preparation of fluorinated compounds.

2218-54-4

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2218-54-4 Usage

Uses

Used in Organic Synthesis:
Sodium heptafluorobutyrate is used as a reagent in organic synthesis for its ability to catalyze reactions, facilitating the formation of desired products and improving the efficiency of the synthesis process.
Used in Fluoride Synthesis:
As a fluorine source, sodium heptafluorobutyrate is utilized in the synthesis of fluorides, contributing to the development of various chemical compounds that require fluorine atoms.
Used in Pharmaceutical Production:
Sodium heptafluorobutyrate is used as a key intermediate in the production of pharmaceuticals, enabling the synthesis of drugs with specific therapeutic properties.
Used in Agrochemical Manufacturing:
In the agrochemical industry, sodium heptafluorobutyrate is employed in the manufacturing process to produce effective and targeted agrochemicals for agricultural applications.
Used in Polymer and Surfactant Manufacturing:
Sodium heptafluorobutyrate is used in the manufacturing of polymers and surfactants, where its unique properties contribute to the development of materials with specific characteristics and functions.
Used in the Preparation of Fluorinated Compounds:
As an important intermediate, sodium heptafluorobutyrate is crucial in the preparation of fluorinated compounds, which have a wide range of applications in various industries due to their unique properties.

Check Digit Verification of cas no

The CAS Registry Mumber 2218-54-4 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 2,2,1 and 8 respectively; the second part has 2 digits, 5 and 4 respectively.
Calculate Digit Verification of CAS Registry Number 2218-54:
(6*2)+(5*2)+(4*1)+(3*8)+(2*5)+(1*4)=64
64 % 10 = 4
So 2218-54-4 is a valid CAS Registry Number.
InChI:InChI=1/C4HF7O2.Na/c5-2(6,1(12)13)3(7,8)4(9,10)11;/h(H,12,13);/q;+1/p-1

2218-54-4 Well-known Company Product Price

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  • (Code)Product description
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  • Alfa Aesar

  • (L16854)  Sodium n-heptafluorobutyrate, 98%   

  • 2218-54-4

  • 5g

  • 347.0CNY

  • Detail
  • Alfa Aesar

  • (L16854)  Sodium n-heptafluorobutyrate, 98%   

  • 2218-54-4

  • 25g

  • 1153.0CNY

  • Detail
  • Alfa Aesar

  • (L16854)  Sodium n-heptafluorobutyrate, 98%   

  • 2218-54-4

  • 100g

  • 3350.0CNY

  • Detail

2218-54-4SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name sodium,2,2,3,3,4,4,4-heptafluorobutanoate

1.2 Other means of identification

Product number -
Other names heptafluorobutyric acid,sodium salt

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:2218-54-4 SDS

2218-54-4Relevant academic research and scientific papers

Oxidation of fluoroalkyl alcohols using sodium hypochlorite pentahydrate [1]

Kirihara, Masayuki,Suzuki, Katsuya,Nakakura, Kana,Saito, Katsuya,Nakamura, Riho,Tujimoto, Kazuki,Sakamoto, Yugo,Kikkawa, You,Shimazu, Hideo,Kimura, Yoshikazu

, (2021/02/05)

Fluoroalkyl alcohols are effectivity oxidized to the corresponding fluoroalkyl carbonyl compounds by reaction with sodium hypochlorite pentahydrate in acetonitrile in the presence of acid and nitroxyl radical catalysts. Although the reaction proceeded slower under a nitroxyl radical catalyst- free condition, the desired carbonyl compounds were obtained in high yields. For the reaction with fluoroalkyl allylic alcohols, the corresponding α,β-epoxyketone hydrates were obtained in high yields.

Products formed at intermediate stages of electrochemical perfluorination of propionyl and n-butyryl chlorides. Further evidence in support of NiF 3 mediated free radical pathway

Rangarajan,Sathyamoorthi,Velayutham,Noel,Singh,Brahma, Raju

experimental part, p. 107 - 113 (2011/03/23)

The partially fluorinated HF soluble intermediates formed during the electrochemical perfluorination of propionyl chloride (PC) and n-butyryl chloride (n-BC) were analyzed after passing 0%, 25%, 50%, 75% and 100% of theoretical charge required for the fluorination of PC and n-BC. The acid fluorides formed were converted to their corresponding sodium salt by alkali treatment and were separated by methanol extraction. The methanol was subsequently removed from the extract by vacuum distillation and the residue containing partially fluorinated sodium carboxylates was analyzed using 19F and 1H NMR spectra. Initial perfluorination on activated electrode surface indicates the operation of 'zipper-mechanism'. Formation of partially fluorinated product mixture, initial selectivity towards primary and secondary carbon, carbon chain isomerization and formation of cleaved and coupled products support the general operation of free radical pathway in the overall electrochemical process.

Preparation of anhydrous organic acid salts

-

, (2008/06/13)

One-step process for preparing anhydrous, organic acid alkali or alkaline earth metal salts by contacting and reacting an organic or polymeric acid fluoride, anhydride or ester and an organic alkali or alkaline earth metal silanolate.

A NEW METHOD FOR THE PREPARATION OF PERFLUOROCARBOXYLIC ACIDS

Huang, Bing-Nan,Haas, A.,Lieb, M.

, p. 49 - 62 (2007/10/02)

The reaction of both primary perfluoroalkyl iodides and bromides containing 3-12 carbon atoms with a rongalite-NaHCO3 reagent in aqueous dipolar aprotic solvents, such as DMF or DMSO, has been investigated.The reaction gave sodium perfluorocarboxylates in 51-86percent yields, and these were transformed to the respective perfluorocarboxylic acids by treatment with sulfuric acid.This provides a new method for the synthesis of perfluorocarboxylic acids.

SYNTHESIS OF PERFLUOROBICYCLIC ETHERS . THE ELECTROCHEMICAL FLUORINATION OF α-CYCLOHEXENYL-SUBSTITUTED CARBOXYLIC ACID DERIVATIVES

Abe, Takashi,Hayashi, Eiji,Baba, Hajime,Nagase, Shunji

, p. 419 - 434 (2007/10/02)

The electrochemical fluorination of α-cyclohexenyl-substituted carboxylic esters afforded both perfluoro (9-alkyl-7-oxa-bicyclononane)s and perfluoro(8-alkoxy-9-alkyl-7-oxabicyclononane)s in fairly good yields.As the driving force for the ring-closure in this fluorination, a mechanism which involves a resonance stabilized intermediate radical is proposed. Perfluoro(8-chloro-8-methoxy-9-ethyl-7-oxabicyclononane) and perfluoro(8,8-dichloro-9-ethyl-7-oxabicyclononane) were obtained by the controlled chlorination of perfluoro(8-methoxy-9-ethyl-7-oxabicyclo nonane) with anhydrous aluminum chloride in low yields.Some new fused perfluorobicyclic ethers and a perfluoroacid fluoride obtained in this experiment have been characterized by infrared, mass and 19F nmr spectra and elemental analysis.

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