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31872-62-5

Basic Information
CAS No.: 31872-62-5
Name: Methyl 3-nitro-4-pyridinyl ether
Article Data: 19
Molecular Structure:
Molecular Structure of 31872-62-5 (Methyl 3-nitro-4-pyridinyl ether)
Formula: C6H6N2O3
Molecular Weight: 154.125
Synonyms: 3-Nitro-4-methoxypyridine;
EINECS: -0
Density: 1.3 g/cm3
Melting Point: 74.0 to 78.0 °C
Boiling Point: 275.9 °C at 760 mmHg
Flash Point: 120.7 °C
Appearance: solid
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36/37/39-36
PSA: 67.94000
LogP: 1.52160
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Specification

The 4-Methoxy-3-nitropyridine is also the IUPAC name of this chemical. With cas registry number of 31872-62-5, it belongs to categories in Pyridines, Pyrimidines, Purines and Pteredines; Pyridines; Pyridine; Nucleotides and Nucleosides; Bases & Related Reagents; Nucleotides.

Physical properties about this chemical are: (1)ACD/LogP: 0.71; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 5; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2 ; (6)Index of Refraction: 1.546; (7)Molar Refractivity: 37.56 cm3; (8)Molar Volume: 118.5 cm3; (9)Surface Tension: 49 dyne/cm; (10)Density: 1.3 g/cm3; (11)Flash Point: 120.7 °C; (12)Enthalpy of Vaporization: 49.37 kJ/mol; (13)Boiling Point: 275.9 °C at 760 mmHg; (14)Vapour Pressure: 0.00834 mmHg at 25°C.

Preparation of 4-Methoxy-3-nitropyridine: it can be made by reaction of 4-chloro-3-nitro-pyridine and 1,2-dimethoxy-ethane using reagents Pd (PPh3)4, t-BuOK. It also gives 3-nitro-4-phenoxy-pyridine.

Uses of 4-Methoxy-3-nitropyridine: it can be used to prepare N-(4-methoxy-pyridin-3-yl)-hydroxylamine using reagents Zn, NH4Cl and solvent aq. Ethanol with reaction time 45 min and
reaction temperature 25-30 ℃. This reaction also needs ultrasonic irradiation. The yield is 82%.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. Wear suitable protective clothing, gloves and eye/face protection during using it. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: COC1=C(C=NC=C1)[N+](=O)[O-];
(2)InChI: InChI=1S/C6H6N2O3/c1-11-6-2-3-7-4-5(6)8(9)10/h2-4H,1H3;
(3)InChIKey: BZPVREXVOZITPF-UHFFFAOYSA-N