2-Amino-5-bromobenzotrifluoride

The Benzenamine,4-bromo-2-(trifluoromethyl)-, with CAS registry number 445-02-3, belongs to the following product categories: (1)Trifluoromethylbenzene serise; (2)Aromatic Halides (substituted); (3)Aniline; (4)Benzotrifluoride Series; (5)Amines; (6)C7; (7)Nitrogen Compounds. It has the systematic name of 4-bromo-2-(trifluoromethyl)aniline. This chemical is a kind of clear yellow liquid. What's more, its EINECS is 207-150-8. The main use of this chemical is for medicines intermediates and pesticides intermediates.

Physical properties of Benzenamine,4-bromo-2-(trifluoromethyl)-: (1)ACD/LogP: 3.22; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.22; (4)ACD/LogD (pH 7.4): 3.22; (5)ACD/BCF (pH 5.5): 163.76; (6)ACD/BCF (pH 7.4): 163.77; (7)ACD/KOC (pH 5.5): 1338.27; (8)ACD/KOC (pH 7.4): 1338.3; (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^-24cm³; (17)Surface Tension: 33.7 dyne/cm; (18)Density: 1.697 g/cm³; (19)Flash Point: 83.7 °C; (20)Enthalpy of Vaporization: 46.01 kJ/mol; (21)Boiling Point: 223.6 °C at 760 mmHg; (22)Vapour Pressure: 0.0955 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The Benzenamine,4-bromo-2-(trifluoromethyl)- irritates to eyes, respiratory system and skin. This chemical is harmful by inhalation, in contact with skin and if swallowed. And it may cause burns. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice. After using it, take off immediately all contaminated clothing. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1cc(c(N)cc1)C(F)(F)F
(2)InChI: InChI=1/C7H5BrF3N/c8-4-1-2-6(12)5(3-4)7(9,10)11/h1-3H,12H2
(3)InChIKey: PHXGKHTWEOPCEW-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C7H5BrF3N/c8-4-1-2-6(12)5(3-4)7(9,10)11/h1-3H,12H2
(5)Std. InChIKey: PHXGKHTWEOPCEW-UHFFFAOYSA-N