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
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.
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 |
