Product Name

  • Name

    2',5'-Difluoroacetanilide

  • EINECS
  • CAS No. 398-90-3
  • Article Data7
  • CAS DataBase
  • Density 1.307 g/cm3
  • Solubility
  • Melting Point
  • Formula C8H7F2NO
  • Boiling Point 276.9 °C at 760 mmHg
  • Molecular Weight 171.146
  • Flash Point 121.2 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 398-90-3 (2',5'-Difluoroacetanilide)
  • Hazard Symbols IrritantXi
  • Synonyms Acetamide, N-(2,5-difluorophenyl)-;2,5-Difluoroacetanilide;2',5'-Difluoroacetanilide;
  • PSA 29.10000
  • LogP 1.99620

2',5'-Difluoroacetanilide Specification

This chemical is called N-(2,5-Difluorophenyl)acetamide, and it can also be named as Acetamide, N-(2,5-Difluorophenyl)-. With the molecular formula of C8H7F2NO, its molecular weight is 171.14. The CAS registry number of this chemical is 398-90-3, and its systematic name is N-(2,5-Difluorophenyl)acetamide. 

Other characteristics of the N-(2,5-Difluorophenyl)acetamide can be summarised as followings: (1)ACD/LogP: 1.50; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.5; (4)ACD/LogD (pH 7.4): 1.5; (5)ACD/BCF (pH 5.5): 8.14; (6)ACD/BCF (pH 7.4): 8.14; (7)ACD/KOC (pH 5.5): 156.12; (8)ACD/KOC (pH 7.4): 156.12; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 20.31 Å2; (13)Index of Refraction: 1.531; (14)Molar Refractivity: 40.51 cm3; (15)Molar Volume: 130.9 cm3; (16)Polarizability: 16.06×10-24 cm3; (17)Surface Tension: 38 dyne/cm; (18)Density: 1.307 g/cm3; (19)Flash Point: 121.2 °C; (20)Enthalpy of Vaporization: 51.54 kJ/mol; (21)Boiling Point: 276.9 °C at 760 mmHg; (22)Vapour Pressure: 0.00468 mmHg at 25°C.

Uses of this chemical: The N-(2,5-Difluoro-4-trifluoromethyl-phenyl)-acetamide, N-(3,6-Difluoro-2-trifluoromethyl-phenyl)-acetamide and Acetic acid-(2,5-difluoro-3-trifluoromethyl-anilide) could be obtained by the reactants of trifluoroacetic acid and N-(2,5-Difluorophenyl)acetamide. This reaction needs the reagent of XeF2, and the solvent of CH2Cl2. The yield is 33 %. This reaction should be taken for 2 hours at the ambient temperature.

The N-(2,5-difluoro-4-trifluoromethyl-phenyl)-acetamide, N-(3,6-difluoro-2-trifluoromethyl-phenyl)-acetamide and Acetic acid-(2,5-difluoro-3-trifluoromethyl-anilide) could be obtained by the reactants of trifluoroacetic acid and N-(2,5-difluorophenyl)acetamide.

You can still convert the following datas into molecular structure:
1.SMILES: O=C(Nc1cc(F)ccc1F)C
2.InChI: InChI=1/C8H7F2NO/c1-5(12)11-8-4-6(9)2-3-7(8)10/h2-4H,1H3,(H,11,12)
3.InChIKey: XDZRBPCZRHRSAE-UHFFFAOYAH

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