4-Methoxypyridine N-oxide

The IUPAC name of 4-Methoxypyridine N-oxide is 4-methoxy-1-oxidopyridin-1-ium. With the CAS registry number 1122-96-9 and EINECS 214-367-1, it is also named as Pyridine, 4-methoxy-, 1-oxide. The product's categories are Pyridine; Pyridines, Pyrimidines, Purines and Pteredines. It is crystalline powder which should be sealed in the container and stored in the cool and dry place. Additonally, people should ensure that the workplace has well-ventilated equipment

The other characteristics of this product can be summarized as: (1)ACD/LogP: -1.07; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.07; (4)ACD/LogD (pH 7.4): -1.07; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 6.26; (8)ACD/KOC (pH 7.4): 6.27; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 33.34 Å²; (13)Index of Refraction: 1.501; (14)Molar Refractivity: 33.65 cm³; (15)Molar Volume: 114 cm³; (16)Polarizability: 13.34×10^-24 cm³; (17)Surface Tension: 37.7 dyne/cm; (18)Enthalpy of Vaporization: 52.77 kJ/mol; (19)Vapour Pressure: 0.0012 mmHg at 25°C; (20)Rotatable Bond Count: 1; (21)Exact Mass: 125.047678; (22)MonoIsotopic Mass: 125.047678; (23)Topological Polar Surface Area: 34.7; (24)Heavy Atom Count: 9; (25)Complexity: 79.1.

Preparation of 4-Methoxypyridine N-oxide: It can be obtained by 4-nitro-pyridine-1-oxide and methanol; sodium salt. This reaction needs solvent methanol by heating. The reaction time is 1 hours. The yield is 65%.

Uses of 4-Methoxypyridine N-oxide: It can react with 1-(toluene-4-sulfonyl)-1H-benzotriazole to get 1-(4-methoxy-pyridin-2-yl)-1H-benzotriazole. This reaction needs reagent triethylamine and solvent toluene by heating. The reaction time is 24 hours. The yield is 64%.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. So people should avoid contact with skin and eyes. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable gloves and eye/face protection.

People can use the following data to convert to the molecule structure. 
1. SMILES:[O-][n+]1ccc(OC)cc1
2. InChI:InChI=1/C6H7NO2/c1-9-6-2-4-7(8)5-3-6/h2-5H,1H3 
3. InChIKey:BOFAIBPJCWFJFT-UHFFFAOYAQ