Product Name

  • Name

    4,4,4-Trifluoro-3-(3-indolyl)butyric acid

  • EINECS
  • CAS No. 153233-36-4
  • Article Data4
  • CAS DataBase
  • Density 1.433 g/cm3
  • Solubility
  • Melting Point approximate 119℃
  • Formula C12H10F3NO2
  • Boiling Point 385.575 °C at 760 mmHg
  • Molecular Weight 257.212
  • Flash Point 186.989 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 153233-36-4 (4,4,4-Trifluoro-3-(3-indolyl)butyric acid)
  • Hazard Symbols
  • Synonyms 4,4,4-Trifluoro-3-(indole-3-)-butyric acid;
  • PSA 53.09000
  • LogP 3.28850

4,4,4-Trifluoro-3-(3-indolyl)butyric acid Specification

The 1H-Indole-3-propanoicacid, b-(trifluoromethyl)- is an organic compound with the formula C12H10F3NO2. The IUPAC name of this chemical is 4,4,4-Trifluoro-3-(1H-indol-3-yl)butanoic acid. With the CAS registry number 153233-36-4, it is also named as 4,4,4-Trifluoro-3-(3-indolyl)butyric acid. Besides, its molecular weight is 257.21.

Physical properties about 1H-Indole-3-propanoicacid, b-(trifluoromethyl)- are: (1)ACD/LogP: 2.38; (2)ACD/LogD (pH 5.5): 0.97; (3)ACD/LogD (pH 7.4): -0.79; (4)ACD/BCF (pH 5.5): 1.46; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 18.11; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 31.23 Å2; (12)Index of Refraction: 1.575; (13)Molar Refractivity: 59.36 cm3; (14)Molar Volume: 179.4 cm3; (15)Polarizability: 23.53×10-24 cm3; (16)Surface Tension: 47.4 dyne/cm; (17)Density: 1.433 g/cm3; (18)Flash Point: 187 °C; (19)Enthalpy of Vaporization: 66.91 kJ/mol; (20)Boiling Point: 385.6 °C at 760 mmHg; (21)Vapour Pressure: 1.23E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C12H10F3NO2/c13-12(14,15)9(5-11(17)18)8-6-16-10-4-2-1-3-7(8)10/h1-4,6,9,16H,5H2,(H,17,18)
(2)InChIKey: RJIJUJRAERDEMV-UHFFFAOYAV
(3)Std. InChI: InChI=1S/C12H10F3NO2/c13-12(14,15)9(5-11(17)18)8-6-16-10-4-2-1-3-7(8)10/h1-4,6,9,16H,5H2,(H,17,18)
(4)Std. InChIKey: RJIJUJRAERDEMV-UHFFFAOYSA-N

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