The Benzenamine,2-bromo-3,5-bis(trifluoromethyl)-, with the CAS registry number 174824-16-9, has the systematic name of 2-bromo-3,5-bis(trifluoromethyl)aniline. It is a kind of irritant chemical which belongs to the following product categories: Anilines, Aromatic Amines and Nitro Compounds. And the molecular formula of the chemical is C8H4BrF6N.
The characteristics of Benzenamine,2-bromo-3,5-bis(trifluoromethyl)- are as followings: (1)ACD/LogP: 5.02; (2)# of Rule of 5 Violations: 1 ; (3)#H bond acceptors: 1; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 3.24 Å2; (7)Index of Refraction: 1.462; (8)Molar Refractivity: 48.13 cm3; (9)Molar Volume: 174.9 cm3; (10)Polarizability: 19.08×10-24cm3; (11)Surface Tension: 26.8 dyne/cm; (12)Density: 1.76 g/cm3; (13)Flash Point: 88.6 °C; (14)Enthalpy of Vaporization: 45.93 kJ/mol; (15)Boiling Point: 222.9 °C at 760 mmHg; (16)Vapour Pressure: 0.0993 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Brc1c(cc(cc1N)C(F)(F)F)C(F)(F)F
(2)InChI: InChI=1/C8H4BrF6N/c9-6-4(8(13,14)15)1-3(2-5(6)16)7(10,11)12/h1-2H,16H2
(3)InChIKey: JFWWJFXUVIYKTC-UHFFFAOYAW
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