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CAS No.: | 620-08-6 |
---|---|
Name: | 4-Methoxypyridine |
Article Data: | 82 |
Molecular Structure: | |
Formula: | C6H7NO |
Molecular Weight: | 109.128 |
Synonyms: | Pyridine, 4-methoxy-; |
EINECS: | 210-624-7 |
Density: | 1.023 g/cm3 |
Melting Point: | 4 °C |
Boiling Point: | 168 °C at 760 mmHg |
Flash Point: | 58.8 °C |
Appearance: | clear colorless to slightly yellow liquid |
Hazard Symbols: | Xn, Xi |
Risk Codes: | 36/37/38-20/21/22 |
Safety: | 37/39-26-36-36/37/39 |
PSA: | 22.12000 |
LogP: | 1.09020 |
The 4-Methoxypyridine is an organic compound with the formula C6H7NO. The systematic name of this chemical is 4-methoxypyridine. With the CAS registry number 620-08-6, it is also named as Pyridine, 4-methoxy-. The product's categories are Blocks; Pyridines; Pyridine; Pyridines, Pyrimidines, Purines and Pteredines; Pyridine Series; Pyridine Derivertives; Boronic Acid; C6; Heterocyclic Building Blocks. Besides, it is a clear colorless to slightly yellow liquid, which should be stored in a closed cool and dry place. It is used for pharmaceutical intermediates.
Physical properties about 4-Methoxypyridine are: (1)ACD/LogP: 1.00; (2)ACD/LogD (pH 5.5): -0.11; (3)ACD/LogD (pH 7.4): 0.94; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 2.94; (6)ACD/KOC (pH 5.5): 6.53; (7)ACD/KOC (pH 7.4): 72.26; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 22.12 Å2; (11)Index of Refraction: 1.493; (12)Molar Refractivity: 31.02 cm3; (13)Molar Volume: 106.6 cm3; (14)Polarizability: 12.29×10-24cm3; (15)Surface Tension: 34.2 dyne/cm; (16)Density: 1.023 g/cm3; (17)Flash Point: 58.8 °C; (18)Enthalpy of Vaporization: 38.78 kJ/mol; (19)Boiling Point: 168 °C at 760 mmHg; (20)Vapour Pressure: 2.18 mmHg at 25°C.
Preparation: this chemical can be prepared by 4-methoxy-pyridine-1-oxide. This reaction will need reagent NH4Cl, catalyst indium and solvent methanol. The yield is about 81%.
Uses of 4-Methoxypyridine: it can be used to produce 1-ethyl-4-methoxypiperidine at temperature of 5 - 20 °C. It will need reagent H2 and catalyst Raney Ni(grade T-1). The yield is about 95%.
When you are using this chemical, please be cautious about it as the following:
It is harmful by inhalation, in contact with skin and if swallowed. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, this chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)SMILES: O(c1ccncc1)C
(2)InChI: InChI=1/C6H7NO/c1-8-6-2-4-7-5-3-6/h2-5H,1H3
(3)InChIKey: XQABVLBGNWBWIV-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C6H7NO/c1-8-6-2-4-7-5-3-6/h2-5H,1H3
(5)Std. InChIKey: XQABVLBGNWBWIV-UHFFFAOYSA-N