4-(1,1,2,2-TETRAFLUOROETHOXY)ANILINE

The Benzenamine,4-(1,1,2,2-tetrafluoroethoxy)-, with the CAS registry number 713-62-2, has the systematic name of 4-(1,1,2,2-tetrafluoroethoxy)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 C₈H₇F₄NO.

The characteristics of Benzenamine,4-(1,1,2,2-tetrafluoroethoxy)- are as followings: (1)ACD/LogP: 2.01; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2.01; (5)ACD/BCF (pH 5.5): 19.21; (6)ACD/BCF (pH 7.4): 19.73; (7)ACD/KOC (pH 5.5): 286.42; (8)ACD/KOC (pH 7.4): 294.18; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 12.47 Å²; (13)Index of Refraction: 1.461; (14)Molar Refractivity: 42.37 cm³; (15)Molar Volume: 154.4 cm³; (16)Polarizability: 16.8×10^-24cm³; (17)Surface Tension: 29.5 dyne/cm; (18)Density: 1.354 g/cm³; (19)Flash Point: 93.5 °C; (20)Enthalpy of Vaporization: 46.76 kJ/mol; (21)Boiling Point: 230.9 °C at 760 mmHg; (22)Vapour Pressure: 0.0641 mmHg at 25°C.

Uses of Benzenamine,4-(1,1,2,2-tetrafluoroethoxy)-: It can react with thiocyanic acid; potassium salt to produce 6-(1,1,2,2-tetrafluoro-ethoxy)-benzothiazol-2-ylamine. This reaction will need reagent Br₂ and AcOH. The reaction time is 21 hours with ambient temperature, and the yield is about 50%.  

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin, and it is also harmful by inhalation, in contact with skin and if swallowed. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: FC(F)(Oc1ccc(cc1)N)C(F)F
(2)InChI: InChI=1/C8H7F4NO/c9-7(10)8(11,12)14-6-3-1-5(13)2-4-6/h1-4,7H,13H2
(3)InChIKey: ZQQSVTYLRGGCEI-UHFFFAOYAG