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CAS No.: | 1129-30-2 |
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Name: | 2,6-Diacetylpyridine |
Article Data: | 20 |
Molecular Structure: | |
Formula: | C9H9NO2 |
Molecular Weight: | 163.176 |
Synonyms: | Pyridine-2,6-diacetyl;1-(6-Acetyl-pyridin-2-yl)-ethanone;1-(6-acetylpyridin-2-yl)ethanone; |
EINECS: | 214-442-9 |
Density: | 1.119 g/cm3 |
Melting Point: | 79-82 °C |
Boiling Point: | 287.2 °C at 760 mmHg |
Flash Point: | 131.9 °C |
Solubility: | Soluble in water, chloroform, and DMSO. |
Appearance: | white to off-white crystalline needles or powder |
Hazard Symbols: | Xi,F |
Risk Codes: | 36/37/38-15-10 |
Safety: | 26-36-43-7/8 |
PSA: | 47.03000 |
LogP: | 1.48680 |
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The 2,6-Diacetylpyridine, with the CAS registry number 1129-30-2, is also known as Pyridine-2,6-diacetyl. It belongs to the product categories of Pyridine; Pyridines Derivates; Pyridines; C9 to C46; Heterocyclic Building Blocks. Its EINECS registry number is 214-442-9. This chemical's molecular formula is C9H9NO2 and molecular weight is 163.17. Its IUPAC name is called 1-(6-acetylpyridin-2-yl)ethanone. The product should be sealed and stored in cool, dry and well-ventilated place. What's more, it should be protected from strong oxides.
Physical properties of 2,6-Diacetylpyridine: (1)ACD/LogP: 1.33; (2)ACD/LogD (pH 5.5): 1.33; (3)ACD/LogD (pH 7.4): 1.33; (4)ACD/BCF (pH 5.5): 6.05; (5)ACD/BCF (pH 7.4): 6.05; (6)ACD/KOC (pH 5.5): 126.21; (7)ACD/KOC (pH 7.4): 126.21; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 2; (10)Index of Refraction: 1.521; (11)Molar Refractivity: 44.4 cm3; (12)Molar Volume: 145.7 cm3; (13)Surface Tension: 42.3 dyne/cm; (14)Density: 1.119 g/cm3; (15)Flash Point: 131.9 °C; (16)Enthalpy of Vaporization: 52.64 kJ/mol; (17)Boiling Point: 287.2 °C at 760 mmHg; (18)Vapour Pressure: 0.00251 mmHg at 25°C.
Preparation of 2,6-Diacetylpyridine: this chemical can be prepared by 2,6-bis-trimethylstannanyl-pyridine and 2-oxo-propionyl chloride. This reaction will need solvent benzene. The reaction time is 0.5 hours at ambient temperature. The yield is about 59%.
Uses of 2,6-Diacetylpyridine: it can be used to produce 1-(6-acetyl-1,4-dihydro-pyridin-2-yl)-ethanone at temperature of 20 °C. This reaction will need reagent NaBH4 and solvent methanol with reaction time of 84 hours. The yield is about 58%.
When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is highly flammable. 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. Whenever you will contact it, please wear suitable protective clothing.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(=O)C1=NC(=CC=C1)C(=O)C
(2)InChI: InChI=1S/C9H9NO2/c1-6(11)8-4-3-5-9(10-8)7(2)12/h3-5H,1-2H3
(3)InChIKey: BEZVGIHGZPLGBL-UHFFFAOYSA-N