2,6-DIBROMO-4-(TRIFLUOROMETHYL)ANILINE

This chemical is called Benzenamine, 2,6-dibromo-4-(trifluoromethyl)-, and its systematic name is 2,6-dibromo-4-(trifluoromethyl)aniline. With the molecular formula of C₇H₄Br₂F₃N, its molecular weight is 318.92. The CAS registry number of this chemical is 72678-19-4. Additionally, its product categories are Amines; C7; Nitrogen Compounds.

Other characteristics of the Benzenamine, 2,6-dibromo-4-(trifluoromethyl)- can be summarised as followings: (1)ACD/LogP: 3.80; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.8; (4)ACD/LogD (pH 7.4): 3.8; (5)ACD/BCF (pH 5.5): 457.63; (6)ACD/BCF (pH 7.4): 457.63; (7)ACD/KOC (pH 5.5): 2792.53; (8)ACD/KOC (pH 7.4): 2792.53; (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: 1.558; (14)Molar Refractivity: 50.84 cm³; (15)Molar Volume: 157.5 cm³; (16)Polarizability: 20.15×10^-24cm³; (17)Surface Tension: 38 dyne/cm; (18)Density: 2.023 g/cm³; (19)Flash Point: 101.1 °C; (20)Enthalpy of Vaporization: 48.06 kJ/mol; (21)Boiling Point: 243.6 °C at 760 mmHg; (22)Vapour Pressure: 0.0318 mmHg at 25°C.

Uses of this chemical: The Benzenamine, 2,6-dibromo-4-(trifluoromethyl)- could react with ethynylbenzene, and obtain the 2,6-bis-phenylethynyl-4-trifluoromethyl-phenylamine. This reaction needs the reagents of CuI, Et₃N, PPh₃, and the catalyst of PdCl₂. The yield is 75 %. In addition, this reaction should be taken for 15 hours at the temperature of 80 °C.

When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing when you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
1.SMILES: Brc1cc(cc(Br)c1N)C(F)(F)F
2.InChI: InChI=1/C7H4Br2F3N/c8-4-1-3(7(10,11)12)2-5(9)6(4)13/h1-2H,13H2
3.InChIKey: DRSMEHXBOXHXDX-UHFFFAOYAN