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Ethanone,1-[2-fluoro-5-(trifluoromethyl)phenyl]-

  • Name Ethanone,1-[2-fluoro-5-(trifluoromethyl)phenyl]-
  • EINECSN/A
  • CAS No. 202664-53-7
  • Density1.299 g/cm3
  • PSA17.07000
  • LogP3.04710
  • SolubilityN/A
  • Melting PointN/A
  • FormulaC9H6F4O
  • Boiling Point176.5 °C at 760 mmHg
  • Molecular Weight206.14
  • Flash Point64.1 °C
  • Transport InformationN/A
  • Appearanceliquid
  • Safety26-36/37/39
  • Risk Codes36/37/38
  • Molecular Structure
    Molecular Structure of 202664-53-7 (2'-FLUORO-5'-(TRIFLUOROMETHYL)ACETOPHENONE)
  • Hazard SymbolsIrritantXi
  • SynonymsIrritantXi
  • Article Data2

Ethanone,1-[2-fluoro-5-(trifluoromethyl)phenyl]- Specification

The Ethanone,1-[2-fluoro-5-(trifluoromethyl)phenyl]-, with the CAS registry number 202664-53-7, is also known as 2-Fluoro-5-trifluoromethylacetophenone. This chemical's molecular formula is C9H6F4O and molecular weight is 206.14. What's more, its systematic name is 1-[2-fluoro-5-(trifluoromethyl)phenyl]ethanone. It should be sealed and stored in a cool, ventilated and dry place. Moreover, it should be protected from oxides.

Physical properties of Ethanone,1-[2-fluoro-5-(trifluoromethyl)phenyl]- are: (1)ACD/LogP: 2.46; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.46; (4)ACD/LogD (pH 7.4): 2.46; (5)ACD/BCF (pH 5.5): 43.9; (6)ACD/BCF (pH 7.4): 43.9; (7)ACD/KOC (pH 5.5): 521.52; (8)ACD/KOC (pH 7.4): 521.52; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 17.07 Å2; (13)Index of Refraction: 1.433; (14)Molar Refractivity: 41.25 cm3; (15)Molar Volume: 158.6 cm3; (16)Polarizability: 16.35×10-24cm3; (17)Surface Tension: 25.5 dyne/cm; (18)Density: 1.299 g/cm3; (19)Flash Point: 64.1 °C; (20)Enthalpy of Vaporization: 41.28 kJ/mol; (21)Boiling Point: 176.5 °C at 760 mmHg; (22)Vapour Pressure: 1.09 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(=O)C1=C(C=CC(=C1)C(F)(F)F)F
(2)InChI: InChI=1S/C9H6F4O/c1-5(14)7-4-6(9(11,12)13)2-3-8(7)10/h2-4H,1H3
(3)InChIKey: PYEGOARCMCIYCW-UHFFFAOYSA-N

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