3-Methylpyridine 1-oxide
Names and Identifiers of 3-Methylpyridine 1-oxide
CAS Number |
1003-73-2 |
|---|---|
EC Number |
213-714-4 |
MDL Number |
MFCD00006203 |
IUPAC Name |
3-methyl-1-oxidopyridin-1-ium |
InChI |
InChI=1S/C6H7NO/c1-6-3-2-4-7(8)5-6/h2-5H,1H3 |
InChIKey |
DMGGLIWGZFZLIY-UHFFFAOYSA-N |
Canonical SMILES |
CC1=C[N+](=CC=C1)[O-] |
UNII |
YA9Q5YUG2M |
UNSPSC Code |
12352100 |
Physical and chemical properties of 3-Methylpyridine 1-oxide
Acidity coefficient |
pK1:10.921(+1) (25°C) |
|---|---|
Boiling Point |
282.3±0.0 °C at 760 mmHg |
BRN |
106327 |
Density |
1.0±0.1 g/cm3 |
Exact Mass |
109.052765 |
Flash Point |
122.6±18.7 °C |
Index of Refraction |
1.513 |
LogP |
-0.74 |
Melting Point |
37-39 °C(lit.) |
Molecular Formula |
C6H7NO |
Molecular Weight |
109.126 |
PSA |
25.46000 |
Sensitivity |
Hygroscopic |
Solubility |
>2000g/l |
Storage condition |
Sealed in dry,Room Temperature |
Vapour Pressure |
0.0±0.5 mmHg at 25°C |
Water Solubility |
soluble |
Safety Information of 3-Methylpyridine 1-oxide
Applications of 3-Methylpyridine 1-oxide
3-Methylpyridine 1-oxide finds utility in various applications:
- Pharmaceuticals: It is used as an intermediate in the synthesis of drugs and other bioactive compounds.
- Agrochemicals: The compound serves as a precursor to several pesticides and herbicides.
- Niacin Production: It is an important precursor for niacin, contributing significantly to its production on a global scale.
Interaction Studies of 3-Methylpyridine 1-oxide
Research into the interactions of 3-methylpyridine 1-oxide has focused on its role in enzyme activity modulation and its potential toxicological effects. Studies have indicated that it can inhibit certain enzymes, impacting metabolic pathways in organisms exposed to it. Furthermore, its environmental behavior suggests that it can contaminate water sources due to its solubility, raising concerns about ecological impacts.
Biological Activity of 3-Methylpyridine 1-oxide
3-Methylpyridine 1-oxide exhibits biological activity that has garnered interest in various fields. It serves as a precursor to niacin, an essential B vitamin, which plays a critical role in metabolic processes. Additionally, it has been studied for its potential effects on enzyme inhibition and its role in agricultural chemistry, particularly as a component in the synthesis of pesticides and herbicides.
Physical sample testing spectrum (NMR) of 3-Methylpyridine 1-oxide
Cas:108-99-6
Cas:933761-79-6