PERFLUOROHEXANOIC ACID

Base Information

• Chemical Name: PERFLUOROHEXANOIC ACID
• CAS No.: 307-24-4
• Molecular Formula: C6HF11O2
• Molecular Weight: 314.055
• Hs Code.: 29159000
• European Community (EC) Number: 206-196-6
• NSC Number: 5213
• UNII: ZP34Q2220R
• DSSTox Substance ID: DTXSID3031862
• Nikkaji Number: J193.717K
• Wikipedia: Perfluorohexanoic_acid
• Wikidata: Q27156874
• Metabolomics Workbench ID: 74799
• ChEMBL ID: CHEMBL3183213
• Mol file: 307-24-4.mol

Synonyms:Hexanoicacid, undecafluoro- (6CI,7CI,8CI,9CI);NSC 5213;Perfluoro-1-pentanecarboxylicacid;Perfluorohexanoic acid;Undecafluorocaproic acid;Undecafluorohexanoicacid;

Chemical Property of PERFLUOROHEXANOIC ACID

Chemical Property:

• Appearance/Colour: colourless liquid
• Vapor Pressure: 3.09mmHg at 25°C
• Melting Point: 14 °C
• Refractive Index: n20/D 1.301
• Boiling Point: 143 °C at 760 mmHg
• PKA: 0.42±0.10(Predicted)
• Flash Point: 40.3 °C
• PSA: 37.30000
• Density: 1.722 g/cm³
• LogP: 3.17450
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Solubility.: water: insoluble
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 4
• Exact Mass: 313.98008905
• Heavy Atom Count: 19
• Complexity: 368

Purity/Quality:

99.3% ^*data from raw suppliers

PerfluorohexanoicAcid ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: PFAS
• Canonical SMILES: C(=O)(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)O
• Uses: Perfluorohexanoic acid (PFHxA, perfluorocaproic acid, undecafluorohexanoic acid, undecafluoro-1-hexanoic Acid) is a six-carbon compound in the perfluoroalkyl family of chemicals. Perfluorohexanoic acid is used in stain- and grease-proof coatings on furniture, carpet, and food packaging. Perfluorohexanoic acid is the six-carbon version of the highly persistent and outlawed PFOA. Much like other perfluoroalkyls, PFHxA can persist in the environment. Undecafluorohexanoic acid, a volatile ion-pair reagent, has been used as mobile phase for LC-MS analysis of highly polar sulfonium pseudo-sugar constituents neosalacinol and neokotalanol, potential α-glucosidase inhibitors isolated from ayurvedic traditional medicine Salacia species.

Technology Process of PERFLUOROHEXANOIC ACID

There total 32 articles about PERFLUOROHEXANOIC 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: 95.0%

n-perfluorohexyl iodide (355-43-1) → undecafluorohexanoic acid (307-24-4) + perfluorohexyl sulfinic acid

Guidance literature:

With sulfur dioxide; In water; N,N-dimethyl-formamide; at 20 ℃; Product distribution; effect of water content of the solvent, role of allyl alcohol, Faradic yield;

DOI:10.1016/S0022-1139(00)82743-8

Reference yield: 94.0%

sodium undecafluorohexanoate (2923-26-4) → undecafluorohexanoic acid (307-24-4)

Guidance literature:

With sulfuric acid; at 120 ℃;

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

Reference yield: 88.0%

n-perfluorohexyl iodide (355-43-1) + allyl bromide (106-95-6) → 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorohexane (355-37-3) + undecafluorohexanoic acid (307-24-4) + 3-(perfluorohexyl)prop-1-ene (80793-18-6)

Guidance literature:

With potassium hydroxide; 2,2'-azobis(isobutyronitrile); at 80 ℃; for 56h;

DOI:10.1016/S0022-1139(99)00137-2

upstream raw materials:

n-hexanoic anhydride

undecafluorohexanoyl chloride

silver(I) cyanide

hexanoic acid

Downstream raw materials:

perfluorohexanol

perfluorohexanoic acid potassium salt

perfluoro-n-hexyl chloride

methyl 4-(perfluoropentyl)benzoate

Refernces

• 1、 Ochiai, Tsuyoshi,Moriyama, Hirofumi,Nakata, Kazuya,Murakami, Taketoshi,Koide, Yoshihiro,Fujishima, Akira. "Electrochemical and Photocatalytic Decomposition of Perfluorooctanoic acid with a hybrid reactor using a boron-doped diamond electrode and TiO2 photocatalyst". . p. 682 - 683. Retrieved 2011.
• 2、 Moiseeva, N. I.,Gekhman, A. E.,Sakharov, S. G.,Skibina, I. P.,Moiseev, I. I.. "CATALYTIC HYDROPEROXIDE OXIDATION OF PERFLUOROOLEFINS". . p. 2195. Retrieved 1986.
• 3、 Odinokov,Akhmetova,Savchenko,Bazunova,Fatykhov,Zapevalov. "Ozonolysis of perfluoroalkenes and perfluorocycloalkenes". . p. 1190 - 1191. Retrieved 1997.
• 4、 Xiao, Yelan,Chun, Yuen-Kiu,Cheng, Shun-Cheung,Ng, Chi-On,Tse, Man-Kit,Lei, Ngai-Yu,Liu, Ruoyang,Ko, Chi-Chiu. "Photocatalytic amidation and esterification with perfluoroalkyl iodide". . p. 556 - 562. Retrieved 2021/02/09.