Nonafluorobutane-1-sulfonic acid

Product Information

Molecular Formula:
C4HF9O3S
Molecular Weight:
300.10
Description
Nonafluorobutane-1-sulfonic acid (CAS# 375-73-5 ) is a useful research chemical.
Synonyms
1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonic acid
IUPAC Name
1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonic acid
Canonical SMILES
C(C(C(F)(F)S(=O)(=O)O)(F)F)(C(F)(F)F)(F)F
InChI
InChI=1S/C4HF9O3S/c5-1(6,3(9,10)11)2(7,8)4(12,13)17(14,15)16/h(H,14,15,16)
InChI Key
JGTNAGYHADQMCM-UHFFFAOYSA-N
Boiling Point
112-114 °C14 mmHg (lit.)
Purity
95 %
Density
1.811 g/mL at 25 °C(lit.)
Solubility
In water, 344 mg/L at 25 °C (est)
Appearance
Colorless to light yellow to light orange clear liquid
Refractive Index
1.323 at 20 °C
Stability
Stable under recommended storage conditions
LogP
3.38070
Vapor Pressure
2.68X10-2 mm Hg at 25 °C (est)
Henry's Law Constant
1.44X10-5 atm-cu m/mol at 25 °C (est)
Decomposition
When heated to decomposition it emits toxic vapors of /sulfur oxides/ and /chloride
Dissociation Constants
pKa = -3.31 (est)

Safety Information

Hazards
H290:
May be corrosive to metals.
H302:
Harmful if swallowed.
H314:
Causes severe skin burns and eye damage.
Precautionary Statement
P264, P280, P305+P351+P338, and P337+P313
Signal Word
Warning

Computed Properties

XLogP3
2.3
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
12
Rotatable Bond Count
3
Exact Mass
299.95026852 g/mol
Monoisotopic Mass
299.95026852 g/mol
Topological Polar Surface Area
62.8Ų
Heavy Atom Count
17
Formal Charge
0
Complexity
387
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-2022037181-A A method for producing a chemically amplified photosensitive composition, a photosensitive dry film, and a method for producing a patterned resist film. 2021-12-22
CN-114088836-A Mass spectrometry method for perfluoroalkyl ether carboxylic acid and application thereof 2021-11-22
CN-113976058-A Photoetching synthesis method of high-density polypeptide array chip 2021-11-17
CN-113943418-A Rubber-based ionomer, magnetic composite material with ionomer as matrix and preparation method 2021-11-12
CN-113957457-A Graphene material and preparation method thereof 2021-11-05
CN-114032561-A Graphene and method for preparing graphene by electrolyzing ethanol in ionic liquid 2021-11-05
CN-114034856-A Multiple single molecule quantitative detection technology and detection system thereof 2021-11-05
CN-113929810-A Functional polymer, bottom anti-reflection coating composition and preparation method thereof 2021-10-15
CN-113929900-A Polyether high polymer and anti-reflection coating solution and preparation method thereof 2021-10-15
CN-113929906-A Self-crosslinkable isocyanurate polymer and anti-reflective coating composition, preparation method thereof and pattern forming method 2021-10-14

Literatures

PMID Publication Date Title Journal
36453863 2023-02-17 Maternal exposure to perfluorobutane sulfonate (PFBS) during pregnancy: evidence of adverse maternal and fetoplacental effects in New Zealand White (NZW) rabbits Toxicological sciences : an official journal of the Society of 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
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
34695511 2021-12-01 Transcriptional effects of binary combinations of PFAS in FaO cells 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
33772556 2021-05-27 High-Throughput Transcriptomic Analysis of Human Primary Hepatocyte Spheroids Exposed to Per- and Polyfluoroalkyl Substances as a Platform for Relative Potency Characterization Toxicological sciences : an official journal of the Society of Toxicology
33144174 2020-12-01 Exposure to perfluorobutane sulfonate and perfluorooctanesulfonic acid disrupts the production of angiogenesis factors and stress responses in human placental syncytiotrophoblast Reproductive toxicology (Elmsford, N.Y.)
33111528 2020-11-17 Evaluation of the Estrogenic/Antiestrogenic Activities of Perfluoroalkyl Substances and Their Interactions with the Human Estrogen Receptor by Combining In Vitro Assays and In Silico Modeling Environmental science & technology
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

Related Products

Online Inquiry
  • Verification code
USA
  • International:
  • US & Canada (Toll free):
  • Email:
  • Fax:
UK
  • Email:
Copyright © 2024 BOC Sciences. All rights reserved.
Inquiry Basket