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CAS No.: | 78790-82-6 |
---|---|
Name: | 1-(3-CHLORO-PYRIDIN-4-YL)-ETHANONE |
Article Data: | 4 |
Molecular Structure: | |
Formula: | C7H6ClNO |
Molecular Weight: | 155.584 |
Synonyms: | 4-Acetyl-3-chloropyridine; |
Density: | 1.233 g/cm3 |
Boiling Point: | 210.477 °C at 760 mmHg |
Flash Point: | 81.094 °C |
PSA: | 29.96000 |
LogP: | 1.93760 |
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The Ethanone,1-(3-chloro-4-pyridinyl)- is an organic compound with the formula C7H6ClNO. With the CAS registry number 78790-82-6, the IUPAC name of this chemical is 1-(3-chloropyridin-4-yl)ethanone.
Physical properties about Ethanone,1-(3-chloro-4-pyridinyl)- are: (1)ACD/LogP: 1.10; (2)ACD/LogD (pH 5.5): 1.097; (3)ACD/LogD (pH 7.4): 1.097; (4)ACD/BCF (pH 5.5): 4.015; (5)ACD/BCF (pH 7.4): 4.015; (6)ACD/KOC (pH 5.5): 94.133; (7)ACD/KOC (pH 7.4): 94.138; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 29.96 Å2; (11)Index of Refraction: 1.535; (12)Molar Refractivity: 39.267 cm3; (13)Molar Volume: 126.138 cm3; (14)Polarizability: 15.567×10-24cm3; (15)Surface Tension: 42.716 dyne/cm; (16)Density: 1.233 g/cm3; (17)Flash Point: 81.094 °C; (18)Enthalpy of Vaporization: 44.676 kJ/mol; (19)Boiling Point: 210.477 °C at 760 mmHg; (20)Vapour Pressure: 0.192 mmHg at 25°C.
Preparation: this chemical can be prepared by 3-chloro-isonicotinonitrile and methylmagnesium bromide. This reaction will need reagent diethyl ether. The reaction time is 5 min at ambient temperature. The yield is about 81%.
You can still convert the following datas into molecular structure:
(1)SMILES: CC(=O)c1ccncc1Cl
(2)InChI: InChI=1/C7H6ClNO/c1-5(10)6-2-3-9-4-7(6)8/h2-4H,1H3
(3)InChIKey: USENXBJIUNFKAX-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C7H6ClNO/c1-5(10)6-2-3-9-4-7(6)8/h2-4H,1H3
(5)Std. InChIKey: USENXBJIUNFKAX-UHFFFAOYSA-N