Product Name

  • Name

    3'-TRIFLUOROMETHYLBIPHENYL-3-CARBOXYLIC ACID

  • EINECS
  • CAS No. 168619-05-4
  • Article Data2
  • CAS DataBase
  • Density 1.326g/cm3
  • Solubility
  • Melting Point
  • Formula C14H9F3O2
  • Boiling Point 392.9 °C at 760 mmHg
  • Molecular Weight 266.219
  • Flash Point 191.4 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 168619-05-4 (3'-TRIFLUOROMETHYLBIPHENYL-3-CARBOXYLIC ACID)
  • Hazard Symbols IrritantXi
  • Synonyms RARECHEM AL BE 1366;3-(TRIFLUOROMETHYL)[1,1-BIPHENYL]-3-CARBOXYLIC ACID;3-TRIFLUOROMETHYLBIPHENYL-3-CARBOXYLIC ACID;AKOS BAR-0020;3-(3-(Trifluoromethyl)phenyl)benzoic acid
  • PSA 37.30000
  • LogP 4.07060

[1,1'-Biphenyl]-3-carboxylicacid, 3'-(trifluoromethyl)- Specification

The [1,1'-Biphenyl]-3-carboxylicacid, 3'-(trifluoromethyl)-, with CAS registry number 168619-05-4, has the systematic name of 3'-(trifluoromethyl)biphenyl-3-carboxylic acid. This chemical may cause inflammation to the skin or other mucous membranes. And the chemical formula of this chemical is C14H9F3O2.

Physical properties of [1,1'-Biphenyl]-3-carboxylicacid, 3'-(trifluoromethyl)-: (1)ACD/LogP: 4.89; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.44; (4)ACD/LogD (pH 7.4): 1.95; (5)ACD/BCF (pH 5.5): 107.75; (6)ACD/BCF (pH 7.4): 3.55; (7)ACD/KOC (pH 5.5): 382.62; (8)ACD/KOC (pH 7.4): 12.62; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.537; (14)Molar Refractivity: 62.75 cm3; (15)Molar Volume: 200.7 cm3; (16)Polarizability: 24.87×10-24cm3; (17)Surface Tension: 38.4 dyne/cm; (18)Density: 1.326 g/cm3; (19)Flash Point: 191.4 °C; (20)Enthalpy of Vaporization: 67.79 kJ/mol; (21)Boiling Point: 392.9 °C at 760 mmHg; (22)Vapour Pressure: 7.04E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c2cccc(c1cc(C(=O)O)ccc1)c2
(2)InChI: InChI=1/C14H9F3O2/c15-14(16,17)12-6-2-4-10(8-12)9-3-1-5-11(7-9)13(18)19/h1-8H,(H,18,19)
(3)InChIKey: HCHDDXZTEVLXTP-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C14H9F3O2/c15-14(16,17)12-6-2-4-10(8-12)9-3-1-5-11(7-9)13(18)19/h1-8H,(H,18,19)
(5)Std. InChIKey: HCHDDXZTEVLXTP-UHFFFAOYSA-N

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