Product Name

  • Name

    4-(Trifluoromethyl)formanilide

  • EINECS
  • CAS No. 74702-40-2
  • Article Data20
  • CAS DataBase
  • Density 1.353 g/cm3
  • Solubility
  • Melting Point
  • Formula C8H6F3NO
  • Boiling Point 275.3 °C at 760 mmHg
  • Molecular Weight 189.137
  • Flash Point 120.3 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 74702-40-2 (4-(Trifluoromethyl)formanilide)
  • Hazard Symbols
  • Synonyms 4-(Trifluoromethyl)formanilide;N-[4-(Trifluoromethyl)phenyl]formamide;NSC 403005;NSC 403006;
  • PSA 29.10000
  • LogP 2.98260

Formamide,N-[4-(trifluoromethyl)phenyl]- Specification

The Formamide, N-[4-(trifluoromethyl)phenyl]-, with the CAS registry number 74702-40-2, is also known as 4-(Trifluoromethyl)formanilide. This chemical's molecular formula is C8H6F3NO and molecular weight is 189.1345. What's more, its IUPAC name is N-[4-(Trifluoromethyl)phenyl]formamide.

Physical properties about Formamide, N-[4-(trifluoromethyl)phenyl]- are: (1)ACD/LogP: 2.16; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.16; (4)ACD/LogD (pH 7.4): 2.16; (5)ACD/BCF (pH 5.5): 25.87; (6)ACD/BCF (pH 7.4): 25.87; (7)ACD/KOC (pH 5.5): 357.23; (8)ACD/KOC (pH 7.4): 357.23; (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: 1.499; (14)Molar Refractivity: 41.02 cm3; (15)Molar Volume: 139.7 cm3; (16)Polarizability: 16.26×10-24 cm3; (17)Surface Tension: 31.9 dyne/cm; (18)Density: 1.353 g/cm3; (19)Flash Point: 120.3 °C; (20)Enthalpy of Vaporization: 51.37 kJ/mol; (21)Boiling Point: 275.3 °C at 760 mmHg; (22)Vapour Pressure: 0.00515 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=CNc1ccc(cc1)C(F)(F)F
(2) InChI: InChI=1/C8H6F3NO/c9-8(10,11)6-1-3-7(4-2-6)12-5-13/h1-5H,(H,12,13)
(3) InChIKey: VBKNPSYHKKJAFB-UHFFFAOYAV

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