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195967-10-3

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Basic Information
CAS No.: 195967-10-3
Name: 4-Chloro-2,6-diacetylpyridine
Article Data: 6
Molecular Structure:
Molecular Structure of 195967-10-3 (4-Chloro-2,6-diacetylpyridine)
Formula: C9H8ClNO2
Molecular Weight: 197.62
Synonyms: 2,6-Diacetyl-4-chloropyridine;4-Chloro-2,6-diacetylpyridine;1,1'-(4-Chloropyridine-2,6-diyl)diethanone;
Density: 1.253 g/cm3
Boiling Point: 339.553 °C at 760 mmHg
Flash Point: 159.156 °C
PSA: 47.03000
LogP: 2.14020
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Specification

The Ethanone,1,1'-(4-chloro-2,6-pyridinediyl)bis-, with the CAS registry number 195967-10-3, is also known as 2,6-Diacetyl-4-chloropyridine. This chemical's molecular formula is C9H8ClNO2 and molecular weight is 197.62. What's more, its systematic name is 1,1'-(4-chloropyridine-2,6-diyl)diethanone.

Physical properties of Ethanone,1,1'-(4-chloro-2,6-pyridinediyl)bis- are: (1)ACD/LogP: 1.98; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 32; (6)ACD/BCF (pH 7.4): 32; (7)ACD/KOC (pH 5.5): 413; (8)ACD/KOC (pH 7.4): 413; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 47.03 Å2; (13)Index of Refraction: 1.538; (14)Molar Refractivity: 49.295 cm3; (15)Molar Volume: 157.669 cm3; (16)Polarizability: 19.542×10-24cm3; (17)Surface Tension: 44.688 dyne/cm; (18)Density: 1.253 g/cm3; (19)Flash Point: 159.156 °C; (20)Enthalpy of Vaporization: 58.302 kJ/mol; (21)Boiling Point: 339.553 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(=O)c1cc(cc(n1)C(=O)C)Cl
(2)InChI: InChI=1S/C9H8ClNO2/c1-5(12)8-3-7(10)4-9(11-8)6(2)13/h3-4H,1-2H3
(3)InChIKey: HVWKKCHGZJFEQD-UHFFFAOYSA-N