2,6-Dichloro-1-fluoropyridinium triflate - CAS 130433-68-0
Catalog: |
BB007111 |
Product Name: |
2,6-Dichloro-1-fluoropyridinium triflate |
CAS: |
130433-68-0 |
Synonyms: |
2,6-dichloro-1-fluoropyridin-1-ium;trifluoromethanesulfonate |
IUPAC Name: | 2,6-dichloro-1-fluoropyridin-1-ium;trifluoromethanesulfonate |
Description: | 2,6-Dichloro-1-fluoropyridinium triflate (CAS# 130433-68-0) is a fluorinating electrophilic reagent. |
Molecular Weight: | 316.06 |
Molecular Formula: | C6H3Cl2F4NO3S |
Canonical SMILES: | C1=CC(=[N+](C(=C1)Cl)F)Cl.C(F)(F)(F)S(=O)(=O)[O-] |
InChI: | InChI=1S/C5H3Cl2FN.CHF3O3S/c6-4-2-1-3-5(7)9(4)8;2-1(3,4)8(5,6)7/h1-3H;(H,5,6,7)/q+1;/p-1 |
InChI Key: | KDFRVNARKRKXQQ-UHFFFAOYSA-M |
Boiling Point: | 100 ℃ at 760 mmHg |
Melting Point: | 176-182 ℃ |
Purity: | > 94.0 % (T) |
Density: | 1.46 g/cm3 |
Appearance: | Yellow powder |
Storage: | Refrigerator |
MDL: | MFCD00191438 |
LogP: | 3.14570 |
GHS Hazard Statement: | H314 (97.5%): 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 |
WO-2021094210-A1 | Substituted pyrazine carboxamide derivatives as prostaglandin ep3 receptor antagonists | 20191112 |
WO-2020185664-A1 | Polymer-inorganic solid-electrolyte interphase for stable metal batteries under lean electrolyte conditions | 20190308 |
WO-2019232245-A1 | A method for fluorinated ring-opening of a substrate | 20180601 |
WO-2019150392-A1 | Pyrazole compounds and preparation thereof | 20180201 |
Complexity: | 236 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 314.9146822 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 314.9146822 |
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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