2,2,2-Trifluoroethyl perfluorobutylsulfonate - CAS 79963-95-4
Catalog: |
BB036438 |
Product Name: |
2,2,2-Trifluoroethyl perfluorobutylsulfonate |
CAS: |
79963-95-4 |
Synonyms: |
2,2,2-trifluoroethyl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate |
IUPAC Name: | 2,2,2-trifluoroethyl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate |
Description: | 2,2,2-Trifluoroethyl perfluorobutylsulfonate (CAS# 79963-95-4) is a useful organic reagent for fluorination, fluoroethylation and other reactions for organic synthesis. Also used as a reagent in the synthesis of heterocyclic amide derivatives as RXR agonist for the treatment of diseases like diabetes, dyslipidemia, hypercholesterolemia and others. |
Molecular Weight: | 382.12 |
Molecular Formula: | C6H2F12O3S |
Canonical SMILES: | C(C(F)(F)F)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F |
InChI: | InChI=1S/C6H2F12O3S/c7-2(8,9)1-21-22(19,20)6(17,18)4(12,13)3(10,11)5(14,15)16/h1H2 |
InChI Key: | KJGYBFLEIPDFNQ-UHFFFAOYSA-N |
Boiling Point: | 170 °C |
Density: | 1.732 g/cm3 |
MDL: | MFCD03093638 |
LogP: | 4.40160 |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-112778838-A | Inorganic nano material printing ink and preparation method thereof | 20201207 |
WO-2021144678-A1 | Hydrofluorethers and methods of using same | 20200115 |
CN-110556509-A | Method for performing surface protection and passivation treatment on metallic lithium cathode by using fluorine-containing organic matter, product and application | 20190814 |
WO-2020069347-A1 | Biodegradation of fluorochemicals | 20180927 |
JP-2019175629-A | Negative electrode binder for lithium ion secondary battery, negative electrode for lithium ion secondary battery using the same, lithium ion secondary battery | 20180328 |
Complexity: | 494 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 381.9533030 |
Formal Charge: | 0 |
Heavy Atom Count: | 22 |
Hydrogen Bond Acceptor Count: | 15 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 381.9533030 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 51.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4 |
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