3-AMINO-5-CHLOROBENZOTRIFLUORIDE

The IUPAC name of 3-Chloro-5-trifluoromethylaniline is 3-chloro-5-(trifluoromethyl)aniline. With the CAS registry number 69411-05-8, it is also named as 1-Amino-3-chloro-5-trifluoromethylbenzene. It is yellow liquid, which should be stored in sealed containers in a cool, dry place away from oxidizing agents. In addition, its molecular formula is C₇H₅ClF₃N and molecular weight is 195.57.

The other characteristics of 3-Chloro-5-trifluoromethylaniline can be summarized as: (1)EINECS: 273-989-1; (2)ACD/LogP: 3.46; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): 3.46; (5)ACD/LogD (pH 7.4): 3.46; (6)ACD/BCF (pH 5.5): 251.74; (7)ACD/BCF (pH 7.4): 251.9; (8)ACD/KOC (pH 5.5): 1820.22; (9)ACD/KOC (pH 7.4): 1821.39; (10)#H bond acceptors: 1; (11)#H bond donors: 2; (12)#Freely Rotating Bonds: 1; (13)Polar Surface Area: 3.24 Å²; (14)Index of Refraction: 1.5; (15)Molar Refractivity: 40.36 cm³; (16)Molar Volume: 137.1 cm³; (17)Polarizability: 16×10^-24cm³; (18)Surface Tension: 31.9 dyne/cm; (19)Density: 1.425 g/cm³; (20)Flash Point: 85.8 °C; (21)Enthalpy of Vaporization: 45.46 kJ/mol; (22)Boiling Point: 218.2 °C at 760 mmHg; (23)Vapour Pressure: 0.127 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following: it is irritating to eyes, respiratory system and skin. It is also harmful by inhalation, in contact with skin and if swallowed. In case of contact with eyes, please rinse immediately with plenty of water and seek medical advice. And you should wear suitable protective clothing, gloves and eye/face protection.

People can use the following data to convert to the molecule structure.
(1)SMILES: Clc1cc(cc(N)c1)C(F)(F)F
(2)InChI: InChI=1/C7H5ClF3N/c8-5-1-4(7(9,10)11)2-6(12)3-5/h1-3H,12H2
(3)InChIKey: OVENUGPMQDFGLE-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C7H5ClF3N/c8-5-1-4(7(9,10)11)2-6(12)3-5/h1-3H,12H2
(5)Std. InChIKey: OVENUGPMQDFGLE-UHFFFAOYSA-N