3,5-Dimethylpyridine N-oxide - CAS 3718-65-8
Catalog: |
BB023221 |
Product Name: |
3,5-Dimethylpyridine N-oxide |
CAS: |
3718-65-8 |
Synonyms: |
3,5-dimethyl-1-oxidopyridin-1-ium |
IUPAC Name: | 3,5-dimethyl-1-oxidopyridin-1-ium |
Description: | 3,5-Dimethylpyridine N-oxide (CAS# 3718-65-8) is used as a reagent in the synthesis of 3,5-Dimethyl-4-nitropyridine 1-Oxide (D473635); an intermediate used to prepare 2-[(2-pyridylmethyl)thio or -sulfinyl]benzimidazoles as antiulcer agents. |
Molecular Weight: | 123.15 |
Molecular Formula: | C7H9NO |
Canonical SMILES: | CC1=CC(=C[N+](=C1)[O-])C |
InChI: | InChI=1S/C7H9NO/c1-6-3-7(2)5-8(9)4-6/h3-5H,1-2H3 |
InChI Key: | SSTLCMOZTCLOLQ-UHFFFAOYSA-N |
Boiling Point: | 290.4 °C at 760 mmHg |
Density: | 1 g/cm3 |
Appearance: | White to tan powder or crystals |
MDL: | MFCD00126839 |
LogP: | 1.73190 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-111454205-A | Method for synthesizing pyridine-N-oxide by catalytic oxidation through continuous non-solvent method | 20200512 |
CN-111303018-A | Synthetic method of omeprazole intermediate | 20200316 |
CN-111058069-A | Plating solution for electroplating tin alloy | 20181017 |
JP-2020063477-A | Electrolytic Sn alloy plating solution | 20181017 |
KR-20200043273-A | Tin alloy plating solution | 20181017 |
Complexity: | 84.9 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 123.068413911 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 123.068413911 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 25.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.6 |
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Pyridines
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