2-AMINO-6-FLUOROBENZOTRIFLUORIDE

The Benzenamine,3-fluoro-2-(trifluoromethyl)-, with the CAS registry number 123973-22-8, has the systematic name and IUPAC name of 3-fluoro-2-(trifluoromethyl)aniline. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C₇H₅F₄N.

The characteristics of Benzenamine,3-fluoro-2-(trifluoromethyl)- are as followings: (1)ACD/LogP: 2.88; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.88; (4)ACD/LogD (pH 7.4): 2.88; (5)ACD/BCF (pH 5.5): 91.43; (6)ACD/BCF (pH 7.4): 91.43; (7)ACD/KOC (pH 5.5): 881.8; (8)ACD/KOC (pH 7.4): 881.81; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 26.02 Å²; (13)Index of Refraction: 1.46; (14)Molar Refractivity: 35.46 cm³; (15)Molar Volume: 129.4 cm³; (16)Polarizability: 14.05×10^-24cm³; (17)Surface Tension: 27.8 dyne/cm; (18)Density: 1.383 g/cm³; (19)Flash Point: 89 °C; (20)Enthalpy of Vaporization: 43.54 kJ/mol; (21)Boiling Point: 199.2 °C at 760 mmHg; (22)Vapour Pressure: 0.345 mmHg at 25°C. 

Uses of Benzenamine,3-fluoro-2-(trifluoromethyl)-: It can react with thiophen-2-yl-acetic acid ethyl ester to produce 4,5-difluoro-3-thiophen-2-yl-1H-quinolin-2-one and N-(3-fluoro-2-trifluoromethyl-phenyl)-2-thiophen-2-yl-acetamide. This reaction will need reagent i-Pr₂NH and n-BuLi, and the menstruum tetrahydrofuran. The reaction time is 8 hours with temperature of -78-20°C, and the yield is about 52%.   

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: FC(F)(F)c1c(F)cccc1N
(2)InChI: InChI=1/C7H5F4N/c8-4-2-1-3-5(12)6(4)7(9,10)11/h1-3H,12H2
(3)InChIKey: SJMDWKFHBPDEQT-UHFFFAOYAX