Undecafluorohexanoic acid

Product Information

Molecular Formula:
C6HF11O2
Molecular Weight:
314.05
Description
Undecafluorohexanoic acid (CAS# 307-24-4 ) is a useful research chemical.
Synonyms
2,2,3,3,4,4,5,5,6,6,6-undecafluorohexanoic acid
IUPAC Name
2,2,3,3,4,4,5,5,6,6,6-undecafluorohexanoic acid
Canonical SMILES
C(=O)(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)O
InChI
InChI=1S/C6HF11O2/c7-2(8,1(18)19)3(9,10)4(11,12)5(13,14)6(15,16)17/h(H,18,19)
InChI Key
PXUULQAPEKKVAH-UHFFFAOYSA-N
Boiling Point
157 °C
Melting Point
14 °C
Purity
95 %
Density
1.722 g/cm3
Solubility
In water, 15,700 mg/L at ambient temperature
Appearance
Colourless liquid
Stability
Stable under recommended storage conditions
LogP
3.17450
Vapor Pressure
1.98 mm Hg at 25 °C (est)
Dissociation Constants
pKa = -0.16

Safety Information

Hazards
H290:
May be corrosive to metals.
H314:
Causes severe skin burns and eye damage.
Precautionary Statement
P201, P202, P280, P281, P305+P351+P338, P308+P313, P310, P405, and P501
Signal Word
Danger

Computed Properties

XLogP3
3.6
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
13
Rotatable Bond Count
4
Exact Mass
313.98008905 g/mol
Monoisotopic Mass
313.98008905 g/mol
Topological Polar Surface Area
37.3Ų
Heavy Atom Count
19
Formal Charge
0
Complexity
368
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes

Patents

Publication Number Title Priority Date
JP-2022031355-A Pest control method 2021-12-15
CN-114133161-A Air-entraining material for low-pressure environment and method for improving frost resistance of mortar or concrete 2021-12-09
JP-2022006186-A Plant disease control method 2021-10-28
JP-2022023190-A Plant disease control method using methyltetraprowl 2021-10-28
JP-2022001607-A Plant disease control method using phenylpyrazole compound and phenyl compound 2021-10-15
JP-2022006179-A Phytopathogenic microbial control composition 2021-10-15
CN-215886584-U Perfluorohexanoic acid sodium wastewater concentration recovery system 2021-09-28
CN-113791057-A Perfluoro compound high-throughput screening method based on fluorescent sensor array 2021-09-15
CN-113817138-A UV-cured fingerprint-resistant resin with high fluorine content and preparation method and application thereof 2021-08-30
DE-202021104684-U1 Remediation of soils and / or water with activated peroxydisulphate / monoperoxysulphate 2021-08-23

Literatures

PMID Publication Date Title Journal
35752307 2022-08-15 In vitro activity of a panel of per- and polyfluoroalkyl substances (PFAS), fatty acids, and pharmaceuticals in peroxisome proliferator-activated receptor (PPAR) alpha, PPAR gamma, and estrogen receptor assays Toxicology and applied pharmacology
35835357 2022-06-30 Lack of interaction of the fluorosurfactant C6O4 with human renal transporters: In vitro/in silico analysis Toxicology
35337807 2022-05-01 Replacement per- and polyfluoroalkyl substances (PFAS) are potent modulators of lipogenic and drug metabolizing gene expression signatures in primary human hepatocytes Toxicology and applied pharmacology
30669116 2019-03-01 Subtle morphometric, behavioral and gene expression effects in larval zebrafish exposed to PFHxA, PFHxS and 6:2 FTOH Aquatic toxicology (Amsterdam, Netherlands)
29601859 2018-07-01 Perfluoroalkylated substances (PFAS) affect neither estrogen and androgen receptor activity nor steroidogenesis in human cells in vitro Toxicology letters
28857218 2018-02-01 Relationship between peroxisome proliferator-activated receptor alpha activity and cellular concentration of 14 perfluoroalkyl substances in HepG2 cells Journal of applied toxicology : JAT
28283292 2017-07-15 Mixture-specific gene expression in zebrafish (Danio rerio) embryos exposed to perfluorooctane sulfonic acid (PFOS), perfluorohexanoic acid (PFHxA) and 3,3',4,4',5-pentachlorobiphenyl (PCB126) The Science of the total environment
27572461 2017-04-01 Identification of protein tyrosine phosphatase SHP-2 as a new target of perfluoroalkyl acids in HepG2 cells Archives of toxicology
28115241 2017-04-01 Poly- and perfluorinated compounds activate human pregnane X receptor Toxicology
27528273 2016-07-29 Binding interactions of perfluoroalkyl substances with thyroid hormone transport proteins and potential toxicological implications Toxicology
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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