isonicotinic acid N-oxide
4-pyridinecarboxylic acid, 1-oxide
Identification
| Name | isonicotinic acid N-oxide |
| IUPAC | 1-oxidopyridin-1-ium-4-carboxylic acid |
| CAS Number | 13602-12-5 |
| EINECS | 237-086-6 |
| FDA UNII | Search |
| Molecular Formula | C6 H5 N O3 |
| Molecular Weight | 139.11045000 |
| MDL Number | MFCD00006209 |
| Nikkaji Number | J277.953F |
Regulatory
Physical Properties
| Assay | 95.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Melting Point | 270.00 °C. @ 760.00 mm Hg |
| Boiling Point | 469.00 °C. @ 760.00 mm Hg (est) |
| Flash Point | 459.00 °F. TCC ( 237.40 °C. ) (est) |
| logP (o/w) | -1.520 (est) |
| Soluble in | water, 1e+006 mg/L @ 25 °C (est) |
No sensory data available
Safety Information
| Preferred SDS | View |
| Oral/Parenteral Toxicity | Not determined |
| Dermal Toxicity | Not determined |
| Inhalation Toxicity | Not determined |
GHS Classification
['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements']
Safety in Use
| Category | pharmaceuticals / chemical synthisis |
| Recommendation for isonicotinic acid N-oxide usage levels up to | not for fragrance use. |
| Recommendation for isonicotinic acid N-oxide flavor usage levels up to | not for flavor use. |
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Potential Uses
Natural Occurrence
Synonyms
1-
oxidopyridin-1-ium-4-carboxylic acid
pyridin-N-oxide-4-carboxylic acid
4-
pyridinecarboxylic acid 1-oxide
4-
pyridinecarboxylic acid, 1-oxide
PubMed:
Quantum chemical calculation (electronic and topologic) and experimental (FT-IR, FT-Raman and UV) analysis of isonicotinic acid N-oxide.
PubMed:
Coordination polymers based on inorganic lanthanide(II) sulfate skeletons and an organic isonicotinate N-oxide connector: segregation into three structural types by the lanthanide contraction effect.