4-(TRIFLUOROMETHYLTHIO)PHENYLACETIC ACID

The Benzeneacetic acid,4-[(trifluoromethyl)thio]-, with the CAS registry number 243977-23-3, is also known as 4-(Trifluoromethylthio)phenylacetic acid. It belongs to the product category of Phenylacetic Acid. This chemical's molecular formula is C₉H₇F₃O₂S and molecular weight is 236.21089. Its IUPAC name is called 2-[4-(trifluoromethylsulfanyl)phenyl]acetic acid. 

Physical properties of Benzeneacetic acid,4-[(trifluoromethyl)thio]-: (1)ACD/LogP: 2.86; (2)ACD/LogD (pH 5.5): 1.39; (3)ACD/LogD (pH 7.4): -0.35; (4)ACD/BCF (pH 5.5): 3; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 29.31; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Index of Refraction: 1.531; (12)Molar Refractivity: 50.66 cm³; (13)Molar Volume: 163.7 cm³; (14)Surface Tension: 43.4 dyne/cm; (15)Density: 1.44 g/cm³; (16)Flash Point: 106.3 °C; (17)Enthalpy of Vaporization: 51.73 kJ/mol; (18)Boiling Point: 252.2 °C at 760 mmHg; (19)Vapour Pressure: 0.0102 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. 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.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=CC=C1CC(=O)O)SC(F)(F)F
(2)InChI: InChI=1S/C9H7F3O2S/c10-9(11,12)15-7-3-1-6(2-4-7)5-8(13)14/h1-4H,5H2,(H,13,14)
(3)InChIKey: BFDKCZMYQOSTJG-UHFFFAOYSA-N