CAS No.55676-21-6,3-ACETYL-2-CHLOROPYRIDINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	55676-21-6
Name:	3-ACETYL-2-CHLOROPYRIDINE
Article Data:	31
Cas Database

Formula:	C₇H₆ClNO
Molecular Weight:	155.584
Synonyms:	1-(2-Chloro-3-pyridyl)ethanone;1-(2-Chloropyridin-3-yl)ethanone;2-Chloro-3-acetylpyridine;3-Acetyl-2-chloropyridine;
EINECS:	-0
Density:	1.233 g/cm³
Boiling Point:	231.986 °C at 760 mmHg
Flash Point:	94.102 °C
Hazard Symbols:	Xn
Risk Codes:	22-36
Safety:	26
PSA:	29.96000
LogP:	1.93760

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Specification

The 1-(2-Chloro-3-pyridinyl)-1-ethanone, with the CAS registry number 55676-21-6, is also known as Ethanone, 1-(2-chloro-3-pyridinyl)-. It belongs to the product categories of Pharmacetical; Pyridine Series. This chemical's molecular formula is C₇H₆ClNO and molecular weight is 155.58. Its IUPAC name is called 1-(2-chloropyridin-3-yl)ethanone.

Physical properties of 1-(2-Chloro-3-pyridinyl)-1-ethanone: (1)ACD/LogP: 0.97; (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): 3; (6)ACD/BCF (pH 7.4): 3; (7)ACD/KOC (pH 5.5): 80; (8)ACD/KOC (pH 7.4): 80; (9)#H bond acceptors: 2; (10)#Freely Rotating Bonds: 1; (11)Index of Refraction: 1.535; (12)Molar Refractivity: 39.267 cm³; (13)Molar Volume: 126.138 cm³; (14)Surface Tension: 42.716 dyne/cm; (15)Density: 1.233 g/cm³; (16)Flash Point: 94.102 °C; (17)Enthalpy of Vaporization: 46.866 kJ/mol; (18)Boiling Point: 231.986 °C at 760 mmHg; (19)Vapour Pressure: 0.06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(=O)C1=C(N=CC=C1)Cl
(2)InChI: InChI=1S/C7H6ClNO/c1-5(10)6-3-2-4-9-7(6)8/h2-4H,1H3
(3)InChIKey: WIWIOUAFBHZLNQ-UHFFFAOYSA-N