Product Name

  • Name

    2-bromo-6-(trifluoromethyl)aniline

  • EINECS 261-262-1
  • CAS No. 58458-13-2
  • Article Data5
  • CAS DataBase
  • Density 1.697 g/cm3
  • Solubility
  • Melting Point
  • Formula C7H5BrF3N
  • Boiling Point 215.6 °C at 760 mmHg
  • Molecular Weight 240.023
  • Flash Point 84.2 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 58458-13-2 (2-bromo-6-(trifluoromethyl)aniline)
  • Hazard Symbols
  • Synonyms 2-Amino-3-bromobenzotrifluoride;
  • PSA 26.02000
  • LogP 3.63130

Benzenamine, 2-bromo-6-(trifluoromethyl)- Specification

The Benzenamine, 2-bromo-6-(trifluoromethyl)-, with the CAS registry number 58458-13-2, is also known as 2-Amino-3-bromobenzotrifluoride. Its EINECS registry number is 261-262-1. This chemical's molecular formula is C7H5BrF3N and molecular weight is 240.0205. What's more, its systematic name is 2-Bromo-6-(trifluoromethyl)aniline.

Physical properties about Benzenamine, 2-bromo-6-(trifluoromethyl)- are: (1)ACD/LogP: 3.36; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.36; (4)ACD/LogD (pH 7.4): 3.36; (5)ACD/BCF (pH 5.5): 210.66; (6)ACD/BCF (pH 7.4): 210.66; (7)ACD/KOC (pH 5.5): 1602.6; (8)ACD/KOC (pH 7.4): 1602.6; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 3.24 Å2; (13)Index of Refraction: 1.522; (14)Molar Refractivity: 43.15 cm3; (15)Molar Volume: 141.4 cm3; (16)Polarizability: 17.1×10-24 cm3; (17)Surface Tension: 33.7 dyne/cm; (18)Density: 1.697 g/cm3; (19)Flash Point: 84.2 °C; (20)Enthalpy of Vaporization: 45.2 kJ/mol; (21)Boiling Point: 215.6 °C at 760 mmHg; (22)Vapour Pressure: 0.146 mmHg at 25 °C.

Preparation of Benzenamine, 2-bromo-6-(trifluoromethyl)- : this chemical can be prepared by N-(2-Bromo-6-trifluoromethyl-phenyl)-acetamide. This reaction needs reagent conc. HCl and solvent ethanol. The reaction time is 75 hours. The yield is 69 %.

Benzenamine, 2-bromo-6-(trifluoromethyl)- is prepared by N-(2-bromo-6-trifluoromethyl-phenyl)-acetamide

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1cccc(c1N)C(F)(F)F
(2)InChI: InChI=1/C7H5BrF3N/c8-5-3-1-2-4(6(5)12)7(9,10)11/h1-3H,12H2
(3)InChIKey: BQSYRDIUPNIUGC-UHFFFAOYAM

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