1-Fluoro-2,4,6-trimethylpyridinium triflate - CAS 107264-00-6
Catalog: |
BB002011 |
Product Name: |
1-Fluoro-2,4,6-trimethylpyridinium triflate |
CAS: |
107264-00-6 |
Synonyms: |
1-fluoro-2,4,6-trimethylpyridin-1-ium;trifluoromethanesulfonate |
IUPAC Name: | 1-fluoro-2,4,6-trimethylpyridin-1-ium;trifluoromethanesulfonate |
Description: | 1-Fluoro-2,4,6-trimethylpyridinium triflate (CAS# 107264-00-6 ) is a useful research chemical. |
Molecular Weight: | 289.25 |
Molecular Formula: | C9H11F4NO3S |
Canonical SMILES: | CC1=CC(=[N+](C(=C1)C)F)C.C(F)(F)(F)S(=O)(=O)[O-] |
InChI: | InChI=1S/C8H11FN.CHF3O3S/c1-6-4-7(2)10(9)8(3)5-6;2-1(3,4)8(5,6)7/h4-5H,1-3H3;(H,5,6,7)/q+1;/p-1 |
InChI Key: | PRIGFEJKMMRJSF-UHFFFAOYSA-M |
Purity: | > 95.0 % (T) |
Appearance: | Off-white powder |
Storage: | Keep in dark place, Inert atmosphere, 2-8 °C |
MDL: | MFCD00067525 |
LogP: | 2.76410 |
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 |
WO-2021155432-A1 | Chemical treatment for preparing metal electrodes | 20200203 |
CN-113087700-A | Spirocyclic tetrahydroquinazolines | 20200108 |
WO-2021139748-A1 | Spirocyclic tetrahydroquinazolines | 20200108 |
CN-110845520-A | Macrocyclic indoles as MCL-1 inhibitors | 20181122 |
WO-2020103864-A1 | Macrocyclic indoles as mcl-1 inhibitors | 20181122 |
PMID | Publication Date | Title | Journal |
20155920 | 20100310 | Aryl-CF(3) bond-forming reductive elimination from palladium(IV) | Journal of the American Chemical Society |
19435367 | 20090610 | Versatile Pd(OTf)2 x 2 H2O-catalyzed ortho-fluorination using NMP as a promoter | Journal of the American Chemical Society |
Complexity: | 249 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 289.03957703 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 289.03957703 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 69.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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