Perfluorononanoic acid
Product Information
Molecular Formula
C9HF17O2
Molecular Weight
464.08
Description
Perfluorononanoic acid (CAS# 375-95-1 ) is a useful research chemical.
Synonyms
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanoic acid
IUPAC Name
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanoic acid
SMILES
C(=O)(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O
InChI
InChI=1S/C9HF17O2/c10-2(11,1(27)28)3(12,13)4(14,15)5(16,17)6(18,19)7(20,21)8(22,23)9(24,25)26/h(H,27,28)
InChI Key
UZUFPBIDKMEQEQ-UHFFFAOYSA-N
Boiling Point
196.4 °C at 760 mmHg
Melting Point
65 °C
Purity
> 95.0 % (GC) (T)
Density
1.753 g/cm3
Solubility
In water, 6.25X10-2 mg/L at 25 °C (est)
Appearance
White to off-white flakes
Application
Used as a surfactant; Used mainly as a processing aid in the manufacture of fluoropolymers; Also as a lubricating oil additive, surfactant for fire extinguishers, cleaning agent, textile finishing agent, polishing surfactant, and in liquid crystal display panels.
LogP
5.08040
Vapor Pressure
0.08 [mmHg]
Dissociation Constants
pKa = -0.21
Safety Information
Hazards
H302+H332:
Harmful if swallowed.
Harmful if inhaled.
H314:
Causes severe skin burns and eye damage.
H351:
Suspected of causing cancer.
H360:
May damage fertility or the unborn child.
H362:
May cause harm to breast-fed children.
H372:
Causes damage to organs through prolonged or repeated exposure.
Harmful if swallowed.
Harmful if inhaled.
H314:
Causes severe skin burns and eye damage.
H351:
Suspected of causing cancer.
H360:
May damage fertility or the unborn child.
H362:
May cause harm to breast-fed children.
H372:
Causes damage to organs through prolonged or repeated exposure.
Precautionary Statement
P201, P202, P260, P261, P263, P264, P270, P271, P280, P281, P301+P312, P304+P312, P304+P340, P305+P351+P338, P308+P313, P310, P312, P314, P330, P405, and P501
Signal Word
Danger
Computed Properties
XLogP3
5.6
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
19
Rotatable Bond Count
7
Exact Mass
463.9705080 g/mol
Monoisotopic Mass
463.9705080 g/mol
Topological Polar Surface Area
37.3Ų
Heavy Atom Count
28
Formal Charge
0
Complexity
615
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 |
|---|---|---|
| CN-114149722-A | Hydrophilic oleophobic material, preparation method and application thereof | 2021-12-29 |
| CN-113842676-A | Super-hydrophilic-super-oleophobic particle for oily sewage treatment and preparation method and application thereof | 2021-10-20 |
| CN-113848190-A | Rapid detection method and detection device for medium-long chain perfluorocarboxylic acid in water sample | 2021-09-26 |
| CN-113791057-A | Perfluoro compound high-throughput screening method based on fluorescent sensor array | 2021-09-15 |
| CN-215840207-U | PFNA operation arm fixing device | 2021-08-31 |
| CN-113817138-A | UV-cured fingerprint-resistant resin with high fluorine content and preparation method and application thereof | 2021-08-30 |
| AU-2021107450-A4 | Passive contaminated surface water treatment system | 2021-08-24 |
| DE-202021104684-U1 | Remediation of soils and / or water with activated peroxydisulphate / monoperoxysulphate | 2021-08-23 |
| CN-113419013-A | Method for analyzing perfluoroalkyl acid pollutants in environmental water sample and application | 2021-08-11 |
| CN-113671068-A | Method for analyzing environmental pollutant targeting exposure component in blood plasma and application thereof | 2021-07-27 |
Literatures
| PMID | Publication Date | Title | Journal |
|---|---|---|---|
| 36638633 | 2023-03-01 | Per- and polyfluoroalkyl substances (PFAS) inhibit cytochrome P450 CYP3A7 through direct coordination to the heme iron and water displacement | Journal of inorganic biochemistry |
| 36270329 | 2022-12-01 | Exposure to a mixture of per-and polyfluoroalkyl substances modulates pulmonary expression of ACE2 and circulating hormones and cytokines | Toxicology and applied pharmacology |
| 36122607 | 2022-10-01 | Structure-activity relationship analysis of perfluoroalkyl carbonic acids on human and rat placental 3β-hydroxysteroid dehydrogenase activity | Toxicology |
| 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 |
| 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 |
| 35266797 | 2022-03-01 | Gestational Perfluoroalkyl Substance Exposure and DNA Methylation at Birth and 12 Years of Age: A Longitudinal Epigenome-Wide Association Study | Environmental health perspectives |
| 34450368 | 2022-01-01 | Critical new insights into the binding of poly- and perfluoroalkyl substances (PFAS) to albumin protein | Chemosphere |
| 34500360 | 2021-12-01 | Exposure to per- and polyfluoroalkyl substances associates with an altered lipid composition of breast milk | Environment international |
| 34371090 | 2021-10-01 | Effects of an environmentally relevant PFAS mixture on dopamine and steroid hormone levels in exposed mice | Toxicology and applied pharmacology |
| 34585601 | 2021-09-01 | Associations of Maternal Serum Perfluoroalkyl Substances Concentrations with Early Adolescent Bone Mineral Content and Density: The Health Outcomes and Measures of the Environment (HOME) Study | Environmental health perspectives |
