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
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.
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 |
