Product Name

  • Name

    4-methoxy-N-(2,2,2-trifluoroethyl)aniline

  • EINECS
  • CAS No. 62158-95-6
  • Article Data16
  • CAS DataBase
  • Density 1.237 g/cm3
  • Solubility
  • Melting Point
  • Formula C9H10F3NO
  • Boiling Point 236.6 °C at 760 mmHg
  • Molecular Weight 205.18
  • Flash Point 96.9 °C
  • Transport Information
  • Appearance
  • Safety 61
  • Risk Codes 51/53
  • Molecular Structure Molecular Structure of 62158-95-6 (4-methoxy-N-(2,2,2-trifluoroethyl)aniline)
  • Hazard Symbols N
  • Synonyms (4-Methoxyphenyl)(2,2,2-trifluoroethyl)amine;4-Methoxy-N-(2,2,2-trifluoroethyl)aniline;
  • PSA 21.26000
  • LogP 2.74240

(4-Methoxyphenyl)(2,2,2-trifluoroethyl)amine Specification

The Benzenamine, 4-methoxy-N-(2,2,2-trifluoroethyl)- has the CAS registry number 62158-95-6. This chemical's molecular formula is C9H10F3NO and molecular weight is 205.18. What's more, its systematic name is 4-methoxy-N-(2,2,2-trifluoroethyl)aniline.

Physical properties of Benzenamine, 4-methoxy-N-(2,2,2-trifluoroethyl)- are: (1)ACD/LogP: 2.07; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.07; (4)ACD/LogD (pH 7.4): 2.07; (5)#H bond acceptors: 2; (6)#H bond donors: 1; (7)#Freely Rotating Bonds: 3; (8)Polar Surface Area: 21.26 Å2; (9)Index of Refraction: 1.486; (10)Molar Refractivity: 47.63 cm3; (11)Molar Volume: 165.7 cm3; (12)Polarizability: 18.88×10-24cm3; (13)Surface Tension: 29.4 dyne/cm; (14)Density: 1.237 g/cm3; (15)Flash Point: 96.9 °C; (16)Enthalpy of Vaporization: 47.34 kJ/mol; (17)Boiling Point: 236.6 °C at 760 mmHg; (18)Vapour Pressure: 0.047 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: COc1ccc(cc1)NCC(F)(F)F
(2)InChI: InChI=1S/C9H10F3NO/c1-14-8-4-2-7(3-5-8)13-6-9(10,11)12/h2-5,13H,6H2,1H3
(3)InChIKey: JHQJGUVEMQTBRL-UHFFFAOYSA-N

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