Perfluoroheptanoic acid
Product Information
Molecular Formula
C7HF13O2
Molecular Weight
364.06
Description
Perfluoroheptanoic acid (CAS# 375-85-9) is a useful research chemical compound.
Synonyms
2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanoic acid
IUPAC Name
2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanoic acid
SMILES
C(=O)(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O
InChI
InChI=1S/C7HF13O2/c8-2(9,1(21)22)3(10,11)4(12,13)5(14,15)6(16,17)7(18,19)20/h(H,21,22)
InChI Key
ZWBAMYVPMDSJGQ-UHFFFAOYSA-N
Boiling Point
177 °C
Melting Point
32 °C
Flash Point
> 113.00 °C (> 235.40 °F) - closed cup
Purity
> 98.0 % (T)
Density
1.792 g/cm3
Solubility
In water, 3.65 mg/L at 25 °C (est)
Appearance
White or colorless to light yellow powder to lump to clear liquid
Refractive Index
1.306 at 20 °C
Stability
Stable under recommended storage conditions
LogP
3.80980
Vapor Pressure
0.133 mm Hg at 25 °C
Henry's Law Constant
0.017 atm-cu m/mole at 25 °C (est)
Dissociation Constants
pKa = -2.29 (est)
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, P260, P261, P264, P270, P271, P280, P281, P301+P312, P304+P340, P305+P351+P338, P308+P313, P310, P311, P314, P321, P330, P403+P233, P405, and P501
Signal Word
Danger
Computed Properties
XLogP3
4.3
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
15
Rotatable Bond Count
5
Exact Mass
363.9768954 g/mol
Monoisotopic Mass
363.9768954 g/mol
Topological Polar Surface Area
37.3Ų
Heavy Atom Count
22
Formal Charge
0
Complexity
448
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-114134342-A | Method for selectively extracting lithium from lithium-containing wastewater by using fluorine-containing polymer adsorbent | 2021-11-29 |
| CN-114099466-A | Bionic cell membrane-inner core nano particle and preparation method and application thereof | 2021-11-24 |
| CN-113956553-A | Modified nitrile rubber and preparation method thereof | 2021-10-26 |
| CN-113773750-A | Water-soluble flame-retardant super-amphiphobic coating, preparation method and coating | 2021-10-08 |
| 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 |
| CN-113604151-A | Preparation method of phosphated polyaniline-silicon dioxide graft modified graphene/waterborne epoxy-containing silicon resin composite coating | 2021-08-27 |
| CN-113683956-A | Preparation method of graphene-silicon dioxide bonded grafted polyaniline/aqueous epoxy-containing silicon resin composite coating | 2021-08-27 |
| DE-202021104684-U1 | Remediation of soils and / or water with activated peroxydisulphate / monoperoxysulphate | 2021-08-23 |
Literatures
| PMID | Publication Date | Title | Journal |
|---|---|---|---|
| 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 |
| 35121066 | 2022-02-27 | The impact of legacy and novel perfluoroalkyl substances on human cytochrome P450: An in vitro study on the inhibitory potential and underlying mechanisms | Toxicology |
| 33984575 | 2021-11-01 | Environmental exposure to perfluoroalkyl substances in early pregnancy, maternal glucose homeostasis and the risk of gestational diabetes: A prospective cohort study | Environment international |
| 33677611 | 2021-05-27 | Organophosphate Flame Retardants, Highly Fluorinated Chemicals, and Biomarkers of Placental Development and Disease During Mid-Gestation | Toxicological sciences : an official journal of the Society of Toxicology |
| 33220336 | 2021-01-30 | Perfluoroheptanoic acid induces Leydig cell hyperplasia but inhibits spermatogenesis in rats after pubertal exposure | Toxicology |
| 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 |
| 23567314 | 2013-06-07 | Evaluation of perfluoroalkyl acid activity using primary mouse and human hepatocytes | Toxicology |
| 22953896 | 2012-12-01 | Human dietary exposure to perfluoroalkyl substances in Catalonia, Spain. Temporal trend | Food chemistry |
