Introduction：Basic information about 3-Picoline-N-oxide CAS 1003-73-2, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
3-Picoline-N-oxide Basic information
| Product Name: | 3-Picoline-N-oxide |
| Synonyms: | 3-Methylpyridin-N-oxid;BETA-PICOLINE-N-OXIDE;3-Methylpyrine-N-Oxide;3-methyl-pyridin1-oxide;3-Picoline, 1-oxide;3-picoline-oxide;beta-Picoline 1-oxide;N-oxideof3-methylpyridine |
| CAS: | 1003-73-2 |
| MF: | C6H7NO |
| MW: | 109.13 |
| EINECS: | 213-714-4 |
| Product Categories: | Heterocyclic Compounds;Pyridines;Building Blocks;Chemical Synthesis;Heterocyclic Building Blocks;Aromatics;Heterocycles;Intermediates;Pyridine;C6 |
| Mol File: | 1003-73-2.mol |
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3-Picoline-N-oxide Chemical Properties
| Melting point | 37-39 °C(lit.) |
| Boiling point | 150 °C15 mm Hg(lit.) |
| density | 1.13 |
| refractive index | 1.5444 (estimate) |
| Fp | >230 °F |
| storage temp. | Sealed in dry,Room Temperature |
| solubility | >2000g/l |
| pka | pK1:10.921(+1) (25°C) |
| form | Crystalline Low Melting Mass |
| color | Pale yellow to brown |
| Water Solubility | soluble |
| Sensitive | Hygroscopic |
| BRN | 106327 |
| InChI | 1S/C6H7NO/c1-6-3-2-4-7(8)5-6/h2-5H,1H3 |
| InChIKey | DMGGLIWGZFZLIY-UHFFFAOYSA-N |
| SMILES | Cc1ccc[n+]([O-])c1 |
| CAS DataBase Reference | 1003-73-2(CAS DataBase Reference) |
| NIST Chemistry Reference | Pyridine, 3-methyl-, 1-oxide(1003-73-2) |
| EPA Substance Registry System | Pyridine, 3-methyl-, 1-oxide (1003-73-2) |
Safety Information
| Hazard Codes | Xi |
| Risk Statements | 36/37/38 |
| Safety Statements | 26-37/39-24/25-36 |
| WGK Germany | 1 |
| RTECS | UT5799000 |
| F | 3-10 |
| TSCA | TSCA listed |
| HS Code | 29333990 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Eye Irrit. 2
Skin Irrit. 2 |
| Toxicity | mouse,LD50,intraperitoneal,1689mg/kg (1689mg/kg),Toxicon. Vol. 23, Pg. 815, 1985. |
3-Picoline-N-oxide Usage And Synthesis
| Chemical Properties | PALE YELLOW TO BROWN CRYSTALLINE LOW MELTING MASS |
| Uses | An intermediate in the preparation of nicotine derivatives. |
| Purification Methods | Purify the N-oxide by careful fractionation in vacuo. The distillate remains supercooled for several days before solidifying. It is a slightly hygroscopic solid which could melt in the hand. The picrate has m 149-151o (from EtOH). [Taylor & Corvetti Org Synth Coll Vol IV 654 1963, IR: Katritzky et al. J Chem Soc 3680 1959, Jaffé & Doak J Am Chem Soc 77 4441, 4481 1955, Boekelheide & Linn J Am Chem Soc 76 1286 1954]. [Beilstein 20 III/IV 2719, 20/5 V 517.] |
3-Picoline-N-oxide Preparation Products And Raw materials
| Raw materials | Hydrogen peroxide-->3-Picoline |
| Preparation Products | 2-Amino-5-methylpyridine-->2-Chloro-5-methylpyridine-->Admire-->4-Bromo-3-methylpyridine-->3-Methylpyridine-2-carboxylic acid-->3-Methyl-4-nitropyridine N-Oxide-->4(1H)-Pyridinimine, 3-methyl--->4-Acetamidonicotinic acid-->Acetamide, N-(3-methyl-4-pyridinyl)- (9CI)-->4-methoxy-3-methylpyridine N-oxide |
