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CAS No.: | 7295-76-3 |
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Name: | 3-METHOXYPYRIDINE |
Article Data: | 49 |
Molecular Structure: | |
Formula: | C6H7NO |
Molecular Weight: | 109.128 |
Synonyms: | 3-Methoxypyridine;β-Methoxypyridine; |
EINECS: | 230-730-7 |
Density: | 1.023 g/cm3 |
Melting Point: | 203 °C |
Boiling Point: | 168.015 °C at 760 mmHg |
Flash Point: | 58.79 °C |
Appearance: | Clear colorless to slightl yellow liquid |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36/37/39 |
PSA: | 22.12000 |
LogP: | 1.09020 |
The 3-Methoxypyridine, with the CAS registry number 7295-76-3 and EINECS registry number 230-730-7, has the systematic name and IUPAC name of 3-methoxypyridine. It is a kind of clear colorless to slightl yellow liquid, and belongs to the following product categories: Pyridines, Pyrimidines, Purines and Pteredines; Heterocyclic Compounds; Anisoles, Alkyloxy Compounds & Phenylacetates; Miscellaneous Compounds; C6; Heterocyclic Building Blocks. And the molecular formula of this chemical is C6H7NO.
The physical properties of 3-Methoxypyridine are as followings: (1)ACD/LogP: 0.95; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.879; (4)ACD/LogD (pH 7.4): 0.952; (5)ACD/BCF (pH 5.5): 2.631; (6)ACD/BCF (pH 7.4): 3.114; (7)ACD/KOC (pH 5.5): 66.255; (8)ACD/KOC (pH 7.4): 78.433; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 22.12 Å2; (13)Index of Refraction: 1.493; (14)Molar Refractivity: 31.023 cm3; (15)Molar Volume: 106.66 cm3; (16)Polarizability: 12.298×10-24cm3; (17)Surface Tension: 34.285 dyne/cm; (18)Density: 1.023 g/cm3; (19)Flash Point: 58.79 °C; (20)Enthalpy of Vaporization: 38.784 kJ/mol; (21)Boiling Point: 168.015 °C at 760 mmHg; (22)Vapour Pressure: 2.184 mmHg at 25°C.
Preparation of 3-Methoxypyridine: This chemical can be prepared by diazomethane and pyridin-3-ol. The reaction will need solvents diethyl ether, methanol and H2O. And the yield is about 59%.
Uses of 3-Methoxypyridine: It can react with 1-chloro-2,4-dinitro-benzene to produce 1-(2,4-dinitro-phenyl)-3-methoxy-pyridinium; chloride. This reaction solvent diethyl ether. The reaction time is 18 hours with heating, and the yield is about 31%.
You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: COc1cccnc1
(2)InChI: InChI=1/C6H7NO/c1-8-6-3-2-4-7-5-6/h2-5H,1H3
(3)InChIKey: UMJSCPRVCHMLSP-UHFFFAOYAQ