2218-54-4

Basic information

• Product Name: SODIUM HEPTAFLUOROBUTYRATE
• Synonyms: heptafluoro-butanoicacisodiumsalt;BUTANOIC ACID, HEPTAFLUORO-, SODIUM SALT;SODIUM HEPTAFLUOROBUTYRATE;Heptafluorobutyric acid sodium salt;Sodiumheptafluorobutyrate,98%;Sodium heptafluorobutyrate 98%;SODIUM NONAFLUOROPENTANOATE;Heptafluorobutanoic acid sodium salt
• CAS NO: 2218-54-4
• Molecular Formula: C₄F₇O₂*Na
• Molecular Weight: 236.02
• EINECS: 218-721-6
• Mol File: 2218-54-4.mol
• Article Data: 6

Chemical Properties

• Melting Point: 248-250°C
• Boiling Point: 120.2°Cat760mmHg
• Flash Point: 18°C
• Appearance: /
• Density: 1.679g/cm³
• Vapor Pressure: 9.8mmHg at 25°C
• CAS DataBase Reference: SODIUM HEPTAFLUOROBUTYRATE(CAS DataBase Reference)
• NIST Chemistry Reference: SODIUM HEPTAFLUOROBUTYRATE(2218-54-4)
• EPA Substance Registry System: SODIUM HEPTAFLUOROBUTYRATE(2218-54-4)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39
• TSCA: Yes
• Hazardous Substances Data: 2218-54-4(Hazardous Substances Data)

Usage

General Description

Sodium heptafluorobutyrate is a chemical compound with the formula C4F7NaO2. It is a fluorinated organic compound that is commonly used as a reagent in organic synthesis and as a fluorine source in fluoride synthesis. It is a white crystalline solid that is soluble in polar solvents such as water and acetone. Sodium heptafluorobutyrate is known for its ability to catalyze various reactions, including nucleophilic substitutions and esterifications. It is also used in the production of pharmaceuticals and agrochemicals, as well as in the manufacturing of polymers and surfactants. Additionally, it is an important intermediate in the preparation of fluorinated compounds.

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

Upstream product

• 375-48-4 nonafluoro-1-bromobutane 
• 423-39-2 1-iodo-2,2,3,3,4,4,5,5,5-nonafluorobutane 
• 2723-38-8 cyclopentylacetic acid methyl ester 
• 424-32-8 perfluoro(2-aza-1-hexene) 
• 7732-18-5 water 
• 1310-73-2 sodium hydroxide 
• 377-51-5 heptafluoro-butyric acid iodoamide 
• 375-01-9 2,2,3,3,4,4,4-heptafluorobutanol 
• 141-75-3 butyryl chloride 
• 356-24-1 methyl heptafluorobutyrate 
• 18027-10-6 sodium trimethylsilanolate 
• 336-64-1 bis(heptafluorobutyryl) peroxide 
• 91113-96-1 2-nitro-butane; sodium salt 
• 24163-39-1 sodium 2-nitropropane 

Downstream Products

• 375-16-6 heptafluorobutyryl chloride 
• 2252-84-8 HFC-227ca 
• 378-98-3 heptafluoropropyl-benzene 
• 375-22-4 heptafluorobutyric Acid 

Relevant articles and documents

-

-

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

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.

A NEW METHOD FOR THE PREPARATION OF PERFLUOROCARBOXYLIC ACIDS

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.