Heptafluorobutyric acid

Base Information

• Chemical Name: Heptafluorobutyric acid
• CAS No.: 375-22-4
• Molecular Formula: C4HF7O2
• Molecular Weight: 214.04
• Hs Code.: 29159000
• European Community (EC) Number: 206-786-3
• NSC Number: 820
• UNII: 12VHZ8L29I
• DSSTox Substance ID: DTXSID4059916
• Nikkaji Number: J42.917A
• Wikipedia: Heptafluorobutyric_acid,Perfluorobutanoic_acid
• Wikidata: Q5732020
• Metabolomics Workbench ID: 74797
• ChEMBL ID: CHEMBL367680
• Mol file: 375-22-4.mol

Synonyms:heptafluorobutanoatato;heptafluorobutyric acid;perfluorobutanoate;perfluorobutanoic acid;perfluorobutyrate;perfluorobutyric acid;perfluorobutyric acid, potassium salt;perfluorobutyric acid, silver (1+) salt;perfluorobutyric acid, sodium salt;PFBA perfluorobutanoic acid;potassium heptafluorobutanoate;potassium perfluorobutanoate;silver heptafluorobutanoate;silver perfluorobutanoate;silver(1+) heptafluorobutanoate;sodium heptafluorobutanoate;sodium perfluorobutanoate

Chemical Property of Heptafluorobutyric acid

Chemical Property:

• Appearance/Colour: Clear colorless to faintly yellow liquid
• Vapor Pressure: ~10 mm Hg ( 25 °C)
• Melting Point: -17.5 °C
• Refractive Index: n20/D 1.3(lit.)
• Boiling Point: 120.2 °C at 760 mmHg
• PKA: pK1:0.17 (25°C)
• Flash Point: 18 °C
• PSA: 37.30000
• Density: 1.679 g/cm³
• LogP: 1.90390
• Storage Temp.: 2-8°C
• Sensitive.: Light Sensitive
• Water Solubility.: miscible
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 2
• Exact Mass: 213.98647640
• Heavy Atom Count: 13
• Complexity: 217

Purity/Quality:

99% ^*data from raw suppliers

HeptafluorobutyricAcid(50ug/mL) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 34-35
• Safety Statements: 26-36/37/39-45

MSDS Files:

Useful:

• Chemical Classes: PFAS,Other Classes -> Perfluoroalkyl Acids
• Canonical SMILES: C(=O)(C(C(C(F)(F)F)(F)F)(F)F)O
• Uses: Heptafluorobutyric acid (HBFA) has been used widely for purifying neuropeptides because of its excellent resolution. The use of heptafluorobutyric acid as a volatile ion-pair reagent in the high-performance liquid chromatographic isolation of SB-223070 John K. Heptafluorobutyric acid is a strong acid and ion-pairing agent that is used in analytical chemistry, notably in HPLC and in gas chromatography/mass spectrometry (GC/MS), in a similar manner to trifluoroacetic acid (TFA). The strong acidity of HFBA ensures that other acidic groups such as carboxylic acid moieties on biomolecules remain protonated, and thus the biomolecule samples are able to interact with organic solvents in such processes as reverse phase chromatography. The longer alkyl chain of HFBA makes it more hydrophobic than TFA, and thus HFBA can be utilized with more hydrophobic samples. HFBA (0.1%) has been used in the mobile phase of an HPLC/LC-MS protocol for the detection of marine bacterioplankton sideophores.A study of the effects of various acids, including HFBA, on the resolution of intact proteins by reversed-phase LC/ESI-MS has been published.A modified version of the peptide ladder sequencing technique that incorporates allyl isothiocyanate and HFBA has been reported. Heptafluorobutyric acid is an ion pair reagent for reverse-phase HPLC. It is used in the sequencing, synthesis, and solubilizing of proteins and peptides. It is used as mobile phase modifier for enhancement of selectivity in the HPLC analysis of histone proteins. It is an effective additive for zinc electrodeposition. Perfluorobutyric acid was used as mobile phase modifier for enhancement of selectivity in the HPLC analysis of histone proteins. It was used as ion pairing reagent in preparative and analytical reserved phase HPLC of underivatised peptides.

Technology Process of Heptafluorobutyric acid

There total 63 articles about Heptafluorobutyric acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 92.0%

sodium heptafluorobutyrate (2218-54-4) → heptafluorobutyric Acid (375-22-4)

Guidance literature:

With sulfuric acid; at 120 ℃;

DOI:10.1016/S0022-1139(00)82053-9

Reference yield: 75.0%

nonafluoro-n-butanesulfenic acid (1606143-50-3) → heptafluorobutyric Acid (375-22-4)

Guidance literature:

In water; toluene; at 20 ℃; for 2h;

DOI:10.1002/ejoc.201301563

Reference yield: 72.0%

sodium 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfinate (102061-82-5) + allyl bromide (106-95-6) → heptafluorobutyric Acid (375-22-4) + 4,4,5,5,6,6,7,7,7-nonafluoro-1-heptene (129846-67-9)

Guidance literature:

With ammonium peroxydisulfate; In N,N-dimethyl-formamide; at 40 ℃; for 4h;

DOI:10.1021/jo00008a041

upstream raw materials:

3,3,4,4,5,5,5-heptafluoro-1-iodopentene

perfluorobutyryl fluoride

heptafluorobutyryl chloride

silver(I) cyanide

Downstream raw materials:

heptafluoro-butyric acid octadecyl ester

1-phenylperfluorobutan-1-one

benzoic acid

ethyl heptafluorobutyrate

Refernces

• 1、 Nagase,Kojima. "-". . p. 1468,1470. Retrieved 1961.
• 2、 Fr?mel, Tobias,Knepper, Thomas P.. "Aerobic biotransformation studies of two trifluoromethoxy-substituted aliphatic alcohols and a novel fluorinated C3-based building block". . p. 80 - 89. Retrieved 2015.
• 3、 Chen, Yongyang,Guo, Dan,Dong, Xiaochun,Li, Yahui,Huang, Yixuan,Chen, Hao,Li, Shanping. "Electrocatalytic degradation of perfluorooctanoic acid by LaNixY1-xO3 (Y = Fe, Cu, Co, Sr) gas dispersion electrode". . . Retrieved 2020/12/23.
• 4、 Sansotera, Maurizio,Persico, Federico,Rizzi, Valentina,Panzeri, Walter,Pirola, Carlo,Bianchi, Claudia L.,Mele, Andrea,Navarrini, Walter. "The effect of oxygen in the photocatalytic oxidation pathways of perfluorooctanoic acid". . p. 159 - 168. Retrieved 2015/11/10.