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| CAS No.: | 213193-32-9 |
|---|---|
| Name: | 5-ACETYL-2-METHOXYPYRIDINE, 97% |
| Article Data: | 16 |
| Molecular Structure: | |
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| Formula: | C8H9NO2 |
| Molecular Weight: | 151.165 |
| Synonyms: | 1-(6-Methoxypyridin-3-yl)ethanone;2-Methoxy-5-acetylpyridine;3-Acetyl-6-methoxypyridine; |
| Density: | 1.094 g/cm3 |
| Melting Point: | 53-57 °C(lit.) |
| Boiling Point: | 269.503 °C at 760 mmHg |
| Flash Point: | 116.791 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 39.19000 |
| LogP: | 1.29280 |
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Specification
The Ethanone,1-(6-methoxy-3-pyridinyl)-, with the CAS registry number 213193-32-9, is also known as 3-Acetyl-6-methoxypyridine. It belongs to the product categories of Acetylgroup; Pyridine; C7 and C8; Heterocyclic Building Blocks; Pyridines. This chemical's molecular formula is C8H9NO2 and molecular weight is 151.16. What's more, its systematic name is 1-(6-methoxypyridin-3-yl)ethanone.
Physical properties of Ethanone,1-(6-methoxy-3-pyridinyl)- are: (1)ACD/LogP: 1.23; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 5; (6)ACD/BCF (pH 7.4): 5; (7)ACD/KOC (pH 5.5): 111; (8)ACD/KOC (pH 7.4): 111; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 39.19 Å2; (13)Index of Refraction: 1.506; (14)Molar Refractivity: 41.051 cm3; (15)Molar Volume: 138.19 cm3; (16)Polarizability: 16.274×10-24cm3; (17)Surface Tension: 38.077 dyne/cm; (18)Density: 1.094 g/cm3; (19)Flash Point: 116.791 °C; (20)Enthalpy of Vaporization: 50.763 kJ/mol; (21)Boiling Point: 269.503 °C at 760 mmHg; (22)Vapour Pressure: 0.007 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1cnc(OC)cc1)C
(2)Std. InChI: InChI=1S/C8H9NO2/c1-6(10)7-3-4-8(11-2)9-5-7/h3-5H,1-2H3
(3)Std. InChIKey: RYOQZXOVBJIUSX-UHFFFAOYSA-N