Product Name

  • Name

    8-(Trifluoromethyl)chroman-4-one

  • EINECS
  • CAS No. 890839-66-4
  • Density 1.374 g/cm3
  • Solubility
  • Melting Point
  • Formula C10H7F3O2
  • Boiling Point 288 °C at 760 mmHg
  • Molecular Weight 216.1566
  • Flash Point 124 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 890839-66-4 (8-(Trifluoromethyl)chroman-4-one)
  • Hazard Symbols
  • Synonyms 4H-1-benzopyran-4-one, 2,3-dihydro-8-(trifluoromethyl)-; 8-(Trifluoromethyl)-2,3-dihydro-4H-chromen-4-one
  • PSA 26.30000
  • LogP 2.67060

8-(Trifluoromethyl)chroman-4-one Specification

The 8-(Trifluoromethyl)chroman-4-one, with CAS registry number 890839-66-4, has the systematic name of 8-(trifluoromethyl)chroman-4-one. Besides this, it is also called 4H-1-benzopyran-4-one, 2,3-dihydro-8-(trifluoromethyl)-. And the chemical formula of this chemical is C10H7F3O2.

Physical properties of 8-(Trifluoromethyl)chroman-4-one: (1)ACD/LogP: 3.03; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.03; (4)ACD/LogD (pH 7.4): 3.03; (5)#H bond acceptors: 2; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 0; (8)Polar Surface Area: 26.3 Å2; (9)Index of Refraction: 1.485; (10)Molar Refractivity: 45.14 cm3; (11)Molar Volume: 157.3 cm3; (12)Polarizability: 17.89×10-24cm3; (13)Surface Tension: 34 dyne/cm; (14)Density: 1.374 g/cm3; (15)Flash Point: 124 °C; (16)Enthalpy of Vaporization: 52.72 kJ/mol; (17)Boiling Point: 288 °C at 760 mmHg; (18)Vapour Pressure: 0.0024 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1cc2c(c(c1)C(F)(F)F)OCCC2=O
(2)InChI: InChI=1/C10H7F3O2/c11-10(12,13)7-3-1-2-6-8(14)4-5-15-9(6)7/h1-3H,4-5H2
(3)InChIKey: OQGMJRUOBDTBBF-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C10H7F3O2/c11-10(12,13)7-3-1-2-6-8(14)4-5-15-9(6)7/h1-3H,4-5H2
(5)Std. InChIKey: OQGMJRUOBDTBBF-UHFFFAOYSA-N

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