2,6-DICHLORO-4-TRIFLUOROMETHYLSULFANYL-PHENYLAMINE

The Benzenamine,2,6-dichloro-4-[(trifluoromethyl)thio]-, with the CAS registry number 99479-65-9, is also known as 2,6-Dichloro-4-trifluoromethylsulfanyl-phenylamine. This chemical's molecular formula is C₇H₄Cl₂F₃NS and molecular weight is 262.0796. Its systematic name is called 2,6-dichloro-4-[(trifluoromethyl)sulfanyl]aniline.

Physical properties of Benzenamine,2,6-dichloro-4-[(trifluoromethyl)thio]-: (1)ACD/LogP: 4.12; (2)ACD/LogD (pH 5.5): 4.12; (3)ACD/LogD (pH 7.4): 4.12; (4)ACD/BCF (pH 5.5): 794.59; (5)ACD/BCF (pH 7.4): 794.59; (6)ACD/KOC (pH 5.5): 4145; (7)ACD/KOC (pH 7.4): 4145; (8)#H bond acceptors: 1; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Index of Refraction: 1.567; (12)Molar Refractivity: 53.03 cm³; (13)Molar Volume: 162.2 cm³; (14)Surface Tension: 45.8 dyne/cm; (15)Density: 1.61 g/cm³; (16)Flash Point: 85.3 °C; (17)Enthalpy of Vaporization: 45.38 kJ/mol; (18)Boiling Point: 217.4 °C at 760 mmHg; (19)Vapour Pressure: 0.133 mmHg at 25°C.

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

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cc(cc(Cl)c1N)SC(F)(F)F
(2)InChI: InChI=1/C7H4Cl2F3NS/c8-4-1-3(14-7(10,11)12)2-5(9)6(4)13/h1-2H,13H2
(3)InChIKey: JDWPTDLYCZOZOJ-UHFFFAOYAC