Product Name

  • Name

    2'-(TRIFLUOROMETHOXY)ACETOPHENONE

  • EINECS -0
  • CAS No. 220227-93-0
  • Article Data7
  • CAS DataBase
  • Density 1.265 g/cm3
  • Solubility
  • Melting Point
  • Formula C9H7F3O2
  • Boiling Point 191.7 °C at 760 mmHg
  • Molecular Weight 204.149
  • Flash Point 68.2 °C
  • Transport Information
  • Appearance
  • Safety 23-24/25
  • Risk Codes
  • Molecular Structure Molecular Structure of 220227-93-0 (2'-(TRIFLUOROMETHOXY)ACETOPHENONE)
  • Hazard Symbols IrritantXi
  • Synonyms 1-(2-Trifluoromethoxyphenyl)ethanone;
  • PSA 26.30000
  • LogP 2.78780

2'-(Trifluoromethoxy)acetophenone Specification

The Ethanone,1-[2-(trifluoromethoxy)phenyl]-, with CAS registry number 220227-93-0, belongs to the following product category: Aromatic Acetophenones & Derivatives (substituted). It has the systematic name of 1-[2-(trifluoromethoxy)phenyl]ethanone. When use this chemical, do not breathe vapour and avoid contact with skin and eyes. And the chemical formula of this chemical is C9H7F3O2.

Physical properties of Ethanone,1-[2-(trifluoromethoxy)phenyl]-: (1)ACD/LogP: 2.92; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.92; (4)ACD/LogD (pH 7.4): 2.92; (5)ACD/BCF (pH 5.5): 96.81; (6)ACD/BCF (pH 7.4): 96.81; (7)ACD/KOC (pH 5.5): 918.6; (8)ACD/KOC (pH 7.4): 918.6; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.45; (14)Molar Refractivity: 43.41 cm3; (15)Molar Volume: 161.3 cm3; (16)Polarizability: 17.21×10-24cm3; (17)Surface Tension: 28.4 dyne/cm; (18)Density: 1.265 g/cm3; (19)Flash Point: 68.2 °C; (20)Enthalpy of Vaporization: 42.79 kJ/mol; (21)Boiling Point: 191.7 °C at 760 mmHg; (22)Vapour Pressure: 0.509 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)Oc1ccccc1C(=O)C
(2)InChI: InChI=1/C9H7F3O2/c1-6(13)7-4-2-3-5-8(7)14-9(10,11)12/h2-5H,1H3
(3)InChIKey: XTXSTESGCXKUIH-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C9H7F3O2/c1-6(13)7-4-2-3-5-8(7)14-9(10,11)12/h2-5H,1H3
(5)Std. InChIKey: XTXSTESGCXKUIH-UHFFFAOYSA-N

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