2-Fluoro-1,3-dimethylpyridinium p-toluenesulfonate - CAS 59387-91-6
Catalog: |
BB030370 |
Product Name: |
2-Fluoro-1,3-dimethylpyridinium p-toluenesulfonate |
CAS: |
59387-91-6 |
Synonyms: |
2-fluoro-1,3-dimethylpyridin-1-ium;4-methylbenzenesulfonate |
IUPAC Name: | 2-fluoro-1,3-dimethylpyridin-1-ium;4-methylbenzenesulfonate |
Description: | 2-Fluoro-1,3-dimethylpyridinium p-toluenesulfonate (CAS# 59387-91-6 ) is a useful research chemical. |
Molecular Weight: | 297.35 |
Molecular Formula: | C7H9FN · C7H7O3S |
Canonical SMILES: | CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=C([N+](=CC=C1)C)F |
InChI: | InChI=1S/C7H9FN.C7H8O3S/c1-6-4-3-5-9(2)7(6)8;1-6-2-4-7(5-3-6)11(8,9)10/h3-5H,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1 |
InChI Key: | HXUOPSAHPZTNGS-UHFFFAOYSA-M |
LogP: | 2.93850 |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-111670184-A | Pyrazole compounds and process for preparing the same | 20180201 |
KR-20200118025-A | Pyrazole compound and preparation thereof | 20180201 |
US-2021053940-A1 | Pyrazole compounds and preparation thereof | 20180201 |
JP-2021512127-A | Pyrazole compounds and their preparation | 20180201 |
US-2016280804-A1 | Halogenated Polysaccharides | 20150325 |
Complexity: | 288 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 297.08349271 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 297.08349271 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 69.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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