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1-(2-Chloro-3-pyridinyl)-1-ethanone

  • Name 1-(2-Chloro-3-pyridinyl)-1-ethanone
  • EINECS-0
  • CAS No. 55676-21-6
  • Density1.233 g/cm3
  • PSA29.96000
  • LogP1.93760
  • SolubilityN/A
  • Melting PointN/A
  • FormulaC7H6ClNO
  • Boiling Point231.986 °C at 760 mmHg
  • Molecular Weight155.584
  • Flash Point94.102 °C
  • Transport InformationN/A
  • AppearanceN/A
  • Safety26
  • Risk Codes22-36
  • Molecular Structure
    Molecular Structure of 55676-21-6 (3-ACETYL-2-CHLOROPYRIDINE)
  • Hazard SymbolsXn
  • SynonymsXn
  • Article Data31

1-(2-Chloro-3-pyridinyl)-1-ethanone 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

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