The Benzeneacetic acid, a-amino-3-(trifluoromethoxy)-, with the CAS registry number 261952-23-2, has the systematic name of amino[3-(trifluoromethoxy)phenyl]acetic acid. And the molecular formula of this chemical is C9H8F3NO3. It is a kind of organics, and should be stored in the dry and cool environment.
The physical properties of Benzeneacetic acid, a-amino-3-(trifluoromethoxy)- are as following: (1)ACD/LogP: 1.89; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.61; (4)ACD/LogD (pH 7.4): -0.61; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 38.77 Å2; (13)Index of Refraction: 1.506; (14)Molar Refractivity: 48.04 cm3; (15)Molar Volume: 161.6 cm3; (16)Polarizability: 19.04×10-24cm3; (17)Surface Tension: 42.8 dyne/cm; (18)Density: 1.454 g/cm3; (19)Flash Point: 128.1 °C; (20)Enthalpy of Vaporization: 55.7 kJ/mol; (21)Boiling Point: 288.2 °C at 760 mmHg; (22)Vapour Pressure: 0.0011 mmHg at 25°C.
You should be cautious while dealing with this chemical. It irritates eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, and 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: FC(F)(F)Oc1cc(ccc1)C(C(=O)O)N
(2)InChI: InChI=1/C9H8F3NO3/c10-9(11,12)16-6-3-1-2-5(4-6)7(13)8(14)15/h1-4,7H,13H2,(H,14,15)
(3)InChIKey: JSRHISPHWIGFLQ-UHFFFAOYAS
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