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6-(Trifluoromethoxy)isoquinolin-1(2H)-one

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  • Name 6-(Trifluoromethoxy)isoquinolin-1(2H)-one
  • EINECSN/A
  • CAS No. 630423-43-7
  • Density1.41 g/cm3
  • PSAN/A
  • LogPN/A
  • SolubilityN/A
  • Melting PointN/A
  • FormulaC10H6F3NO2
  • Boiling Point376.64 °C at 760 mmHg
  • Molecular Weight229.1553
  • Flash Point181.586 °C
  • Transport InformationN/A
  • AppearanceN/A
  • Safety
  • Risk CodesN/A
  • Molecular Structure
    Molecular Structure of 630423-43-7 (6-(Trifluoromethoxy)isoquinolin-1(2H)-one)
  • Hazard SymbolsN/A
  • SynonymsN/A

6-(Trifluoromethoxy)isoquinolin-1(2H)-one Specification

The CAS registry number of 6-(Trifluoromethoxy)isoquinolin-1(2H)-one is 630423-43-7. This chemical is also known as 6-(Trifluoromethoxy)-2-hydroisoquinolin-1-one. The molecular formula of it is C10H6F3NO2 and molecular weight is 229.1553. Its systematic name is called 6-(trifluoromethoxy)isoquinolin-1(2H)-one.

Physical properties about this chemical are: (1)ACD/LogP: 3.50; (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): 25; (6)ACD/BCF (pH 7.4): 25; (7)ACD/KOC (pH 5.5): 350; (8)ACD/KOC (pH 7.4): 350; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.511; (13)Molar Refractivity: 48.645 cm3; (14)Molar Volume: 162.48 cm3; (15)Surface Tension: 35.242 dyne/cm; (16)Density: 1.41 g/cm3; (17)Flash Point: 181.586 °C; (18)Enthalpy of Vaporization: 62.431 kJ/mol; (19)Boiling Point: 376.64 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)Oc2ccc1c(\C=C/NC1=O)c2
(2)InChI: InChI=1/C10H6F3NO2/c11-10(12,13)16-7-1-2-8-6(5-7)3-4-14-9(8)15/h1-5H,(H,14,15)
(3)InChIKey: LAVPRKAUDVLKED-UHFFFAOYAH

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