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4-methyl-1-oxidopyridin-1-ium
CAS number：1003-67-4 molecular formula：C6H7NO
overview
Specs
| Chinese alias | - | ||
| English alias | 4-Methylpyridine 1-oxide | ||
| CAS number | 1003-67-4 | molecular formula | C6H7NO |
| molecular weight | 109.13 | Exact mass | - |
| PSA | 25.5 | logp | 0.2 |
numbering system
| CAS | 1003-67-4 |
| UNII | QIY3009LEH |
| Wikidata | Q27287286 |
| NSC Number | NSC Number: NSC5086 |
| PubChem CID | 13857 |
| Deprecated CAS | 344242-54-2 |
| Nikkaji Number | J31.406D |
| DSSTox Substance ID | DTXSID8061393 |
| European Community (EC) Number | 213-712-3 |
| PubChem Reference Collection SID | 500743807 |
physicochemical properties
| XLogP3 | XLogP3-AA: 0.2 |
| Complexity | 66.9 |
| Exact Mass | 109.052763847 |
| Formal Charge | 0 |
| Vapor Pressure | 0.05 [mmHg] |
| Chemical Classes | Nitrogen Compounds -> Amine Oxides |
| Heavy Atom Count | 8 |
| Molecular Weight | 109.13 |
| Monoisotopic Mass | 109.052763847 |
| Isotope Atom Count | 0 |
| Physical Description | Light brown hygroscopic crystalline powder; [Alfa Aesar MSDS] |
| Rotatable Bond Count | 0 |
| Dissociation Constants | iupacpka |
| Hydrogen Bond Donor Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Topological Polar Surface Area | 25.5 Ų |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
Safety information
Hazards Summary：
Intraperitoneal LD50 (mouse) = 1,242 mg/kg; [RTECS] A skin and strong eye irritant; [Alfa Aesar MSDS] See 4-Picoline.
Ecotoxicity Values：
USDA APHIS Chemical Effects: collection=usda_chemeffect&query_type=synonym&query='^1003-67-4$'
Hazard Classes and Categories：
STOT SE 3 (97.7%)
Production methods and uses
No production method and use information yet
Related
upstream information
No upstream information yet
downstream information
No downstream information yet
MSDS
Found 1 shareMSDS
1003-67-4 | 4-Methylpyridine N-oxide.pdf
