Perfluoroheptanoic acid

Base Information

• Chemical Name: Perfluoroheptanoic acid
• CAS No.: 375-85-9
• Molecular Formula: C7HF13O2
• Molecular Weight: 364.063
• Hs Code.: 29159000
• European Community (EC) Number: 206-798-9
• UNII: 4Q4V9K363Y
• DSSTox Substance ID: DTXSID1037303
• Nikkaji Number: J213.583C
• Wikidata: Q27116513
• Metabolomics Workbench ID: 87190
• ChEMBL ID: CHEMBL172763
• Mol file: 375-85-9.mol

Synonyms:2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanoic acid;C7-PFA;perfluoro-n-heptanoic acid;perfluoro-n-heptanoic acid ammonium salt;perfluoro-n-heptanoic acid sodium salt;perfluoroenanthic acid;perfluoroheptanoic acid;PFHpA compound;PFHpA perfluoroheptanoic acid;TDFHA cpd;tridecafluoroheptanoic acid

Chemical Property of Perfluoroheptanoic acid

Chemical Property:

• Appearance/Colour: white solid
• Vapor Pressure: 0.539mmHg at 25°C
• Melting Point: ~30 °C
• Refractive Index: n20/D 1.306(lit.)
• Boiling Point: 175.8 °C at 760 mmHg
• PKA: 0.47±0.10(Predicted)
• Flash Point: 51.3 °C
• PSA: 37.30000
• Density: 1.735 g/cm³
• LogP: 3.80980
• Storage Temp.: Sealed in dry,Room Temperature
• Water Solubility.: Insoluble in water.
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 15
• Rotatable Bond Count: 5
• Exact Mass: 363.9768954
• Heavy Atom Count: 22
• Complexity: 448

Purity/Quality:

98% ^*data from raw suppliers

Perfluoroheptanoic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 22-34
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: PFAS
• Canonical SMILES: C(=O)(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O
• Uses: Perfluorinated compounds (PFCs) have been detected in many environmental matrixes, biota, and nonoccupationally exposed populations in China recently. Being a persistent environmental pollutant, it ca n accumulate in human tissues via various exposure routes. PFHA may interfere in a toxic fashion on the immune system, liver, development, and endocrine systems. Perfluoroheptanoate (PFHpA, perfluoroheptanoic acid, perfluoro-n-heptanoic acid, tridecafluoro-1-heptanoic acid) is a seven-carbon compound in the perfluoroalkyl family of chemicals. Perfluoroheptanoate is used in stain- and grease-proof coatings on furniture, carpet, and food packaging. Perfluoroheptanoate is the seven-carbon chemical that is structurally similar to the highly persistent and outlawed PFOA. Much like other perfluoroalkyls, PFHpA can persist in the environment. Perfluoroheptanoic acid is a important organic intermediate. It can be used in agrochemical, pharmaceutical and dyestuff field etc.

Technology Process of Perfluoroheptanoic acid

There total 31 articles about Perfluoroheptanoic 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: 93.2%

perfluoroheptanoyl chloride (52447-22-0) → perfluoroheptanoic acid (375-85-9)

Guidance literature:

With water;

Reference yield: 92.0%

perfluoroheptanoic acid sodium salt (20109-59-5) → perfluoroheptanoic acid (375-85-9)

Guidance literature:

With sulfuric acid; at 120 ℃;

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

Reference yield: 91.0%

n-perfluorohexyl iodide (355-43-1) + carbon dioxide (124-38-9,18923-20-1) → perfluoroheptanoic acid (375-85-9)

Guidance literature:

With zinc copper; In various solvent(s); at -20 ℃;

DOI:10.1055/s-1991-26535

upstream raw materials:

n-heptanoic anhydride

perfluorooct-1-ene

oenanthic acid

perfluoro-1H-heptane

Downstream raw materials:

2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptan-1-ol

Perfluorhexanamid

perfluoroheptanoyl chloride

2,2,3,3,4,4,5,5,6,6,7,7,7-Tridecafluoro-heptanoic acid (4-cyanomethyl-phenyl)-amide

Refernces

• 1、 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.
• 2、 -. "Preparation method of perfluoroheptanoic acid". . . Retrieved 2017/07/22.