Product Name

  • Name

    2,4-Difluoro-3-(trifluoromethyl)benzoic acid

  • EINECS
  • CAS No. 157337-81-0
  • Article Data2
  • CAS DataBase
  • Density 1.571 g/cm3
  • Solubility
  • Melting Point
  • Formula C8H3F5O2
  • Boiling Point 252.49 °C at 760 mmHg
  • Molecular Weight 226.10
  • Flash Point 106.502 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 157337-81-0 (2,4-Difluoro-3-(trifluoromethyl)benzoic acid)
  • Hazard Symbols
  • Synonyms 2,4-Difluoro-3-(trifluoromethyl)benzoic acid;
  • PSA
  • LogP

-0 2,4-Difluoro-3-(trifluoromethyl)benzoic acid Specification

The 2,4-Difluoro-3-(trifluoromethyl)benzoic acid is an organic compound with the formula C8H3F5O2. The systematic name of this chemical is 2,4-difluoro-3-(trifluoromethyl)benzoic acid. With the CAS registry number 157337-81-0, it is also named as benzoic acid, 2,4-difluoro-3-(trifluoromethyl)-.

Physical properties about 2,4-Difluoro-3-(trifluoromethyl)benzoic acid are: (1)ACD/LogP: 3.21; (2)ACD/LogD (pH 5.5): 1; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 3; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 2; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 37.3 Å2; (11)Index of Refraction: 1.443; (12)Molar Refractivity: 38.15 cm3; (13)Molar Volume: 143.893 cm3; (14)Polarizability: 15.124×10-24cm3; (15)Surface Tension: 31.487 dyne/cm; (16)Density: 1.571 g/cm3; (17)Flash Point: 106.502 °C; (18)Enthalpy of Vaporization: 51.757 kJ/mol; (19)Boiling Point: 252.49 °C at 760 mmHg; (20)Vapour Pressure: 0.01 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c1c(F)ccc(C(=O)O)c1F
(2)InChI: InChI=1/C8H3F5O2/c9-4-2-1-3(7(14)15)6(10)5(4)8(11,12)13/h1-2H,(H,14,15)
(3)InChIKey: RHOJXSFJDSOLSS-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C8H3F5O2/c9-4-2-1-3(7(14)15)6(10)5(4)8(11,12)13/h1-2H,(H,14,15)
(5)Std. InChIKey: RHOJXSFJDSOLSS-UHFFFAOYSA-N