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4-Bromo-1-methylpyridin-2-one

  • Name 4-Bromo-1-methylpyridin-2-one
  • EINECS-0
  • CAS No. 214342-63-9
  • Density1.664 g/cm3
  • PSA22.00000
  • LogP1.14780
  • SolubilityN/A
  • Melting PointN/A
  • FormulaC6H6BrNO
  • Boiling Point258.1 °C at 760 mmHg
  • Molecular Weight188.024
  • Flash Point109.9 °C
  • Transport InformationN/A
  • AppearanceN/A
  • Safety
  • Risk CodesN/A
  • Molecular Structure
    Molecular Structure of 214342-63-9 (4-Bromo-1-methylpyridin-2(1H)-one)
  • Hazard SymbolsN/A
  • SynonymsN/A
  • Article Data6

4-Bromo-1-methylpyridin-2-one Specification

The 4-Bromo-1-methylpyridin-2-one, also known as 2(1H)-Pyridinone, 4-bromo-1-methyl-, is an organic compound with the formula C6H6BrNO. With the CAS registry number 214342-63-9, its systematic name is 4-bromo-1-methylpyridin-2(1H)-one.

Physical properties of 4-Bromo-1-methylpyridin-2-one: (1)ACD/LogP: 0.13; (2)ACD/LogD (pH 5.5): 0.13; (3)ACD/LogD (pH 7.4): 0.13; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 27.91; (7)ACD/KOC (pH 7.4): 27.91; (8)#H bond acceptors: 2; (9)Index of Refraction: 1.596; (10)Molar Refractivity: 38.45 cm3; (11)Molar Volume: 112.9 cm3; (12)Surface Tension: 47.4 dyne/cm; (13)Density: 1.664 g/cm3; (14)Flash Point: 109.9 °C; (15)Enthalpy of Vaporization: 49.57 kJ/mol; (16)Boiling Point: 258.1 °C at 760 mmHg; (17)Vapour Pressure: 0.014 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: BrC=1\C=C/N(C)C(=O)C=1
(2)InChI: InChI=1/C6H6BrNO/c1-8-3-2-5(7)4-6(8)9/h2-4H,1H3
(3)InChIKey: YFOQSLIPUHGGQE-UHFFFAOYAV

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