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
Canonical 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.
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
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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