1-Fluoropyridinium triflate - CAS 107263-95-6
Catalog: |
BB002010 |
Product Name: |
1-Fluoropyridinium triflate |
CAS: |
107263-95-6 |
Synonyms: |
1-fluoropyridin-1-ium;trifluoromethanesulfonate |
IUPAC Name: | 1-fluoropyridin-1-ium;trifluoromethanesulfonate |
Description: | 1-Fluoropyridinium triflate (CAS# 107263-95-6) is a useful research chemical. |
Molecular Weight: | 247.17 |
Molecular Formula: | C6H5F4NO3S |
Canonical SMILES: | C1=CC=[N+](C=C1)F.C(F)(F)(F)S(=O)(=O)[O-] |
InChI: | InChI=1S/C5H5FN.CHF3O3S/c6-7-4-2-1-3-5-7;2-1(3,4)8(5,6)7/h1-5H;(H,5,6,7)/q+1;/p-1 |
InChI Key: | JFZMMCYRTJBQQI-UHFFFAOYSA-M |
Boiling Point: | 162 °C at 760 mmHg |
Melting Point: | 185-186 °C (lit.) |
Purity: | > 96.0 % (T) |
Appearance: | White to off-white crystalline powder or needles |
Storage: | 0-6 °C |
MDL: | MFCD00013458 |
LogP: | 1.83890 |
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-112409436-A | Radionuclide-labeled estrogen receptor molecule targeting compound and application thereof | 20201106 |
EP-3901142-A1 | Pyrazolylbenzene-1,3-diols for diseases associated with g protein-coupled receptor 18 and in combination with transient receptor potential vanilloid 1 | 20200421 |
US-2021323927-A1 | Pyrazolylbenzene-1,3-diols for diseases associated with g protein-coupled receptor 18 and in combination with transient receptor potential vanilloid 1 | 20200417 |
WO-2021155432-A1 | Chemical treatment for preparing metal electrodes | 20200203 |
WO-2021108549-A1 | Novel thyromimetics | 20191129 |
PMID | Publication Date | Title | Journal |
12682394 | 20030401 | N-fluoropyridinium trifluoromethanesulfonate and 1-fluoro-2,4,6-trimethoxy-1,3,5-triazinium hexafluoroantimonate: the first experimental determination of the F-N+ bond length involving sp2 nitrogen | Acta crystallographica. Section C, Crystal structure communications |
Complexity: | 195 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 246.99262684 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 246.99262684 |
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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