Acetic acid, 2-[[4-(trifluoromethyl)phenyl]thio]- CAS NO.102582-93-4

The Acetic acid, 2-[[4-(Trifluoromethyl)phenyl]thio]-, with the CAS registry number 102582-93-4, is also known as Benzeneacetic acid, 4-[(trifluoromethyl)thio]-. It belongs to the product categories of Aromatic Phenylacetic Acids and Derivatives; C9; Carbonyl Compounds; Carboxylic Acids. This chemical's molecular formula is C₉H₇F₃O₂S and molecular weight is 236.21. What's more, its IUPAC name is 2-[4-(Trifluoromethylsulfanyl)phenyl]acetic acid. In addition, it must be stored in airtight containers and placed in a dry, cool place. Meanwhile, it should avoid contact with oxidant. Besides, you should ensure the work place is well-ventilated.

Physical properties about Acetic acid, 2-[[4-(Trifluoromethyl)phenyl]thio]- are: (1)ACD/LogP: 2.86; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.39; (4)ACD/LogD (pH 7.4): -0.35; (5)ACD/BCF (pH 5.5): 3; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 29.31; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 51.6 Å²; (13)Index of Refraction: 1.531; (14)Molar Refractivity: 50.66 cm³; (15)Molar Volume: 163.7 cm³; (16) Polarizability: 20.08×10^-24 cm³; (17)Surface Tension: 43.4 dyne/cm; (18)Density: 1.44 g/cm³; (19)Flash Point: 106.3 °C; (20)Enthalpy of Vaporization: 51.73 kJ/mol; (21)Boiling Point: 252.2 °C at 760 mmHg; (22)Vapour Pressure: 0.0102 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following: 
As a chemical, it is irritating to eyes, respiratory system and skin. In addition, this chemical may cause inflammation to the skin or other mucous membranes. During using it, wear suitable protective clothing. In case of contact 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)Sc1ccc(cc1)CC(=O)O
(2) InChI: InChI=1/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-UHFFFAOYAP

The Acetic acid, 2-[[4-(Trifluoromethyl)phenyl]thio]-, with the CAS registry number 102582-93-4, is also known as Benzeneacetic acid, 4-[(trifluoromethyl)thio]-. It belongs to the product categories of Aromatic Phenylacetic Acids and Derivatives; C9; Carbonyl Compounds; Carboxylic Acids. This chemical's molecular formula is C₉H₇F₃O₂S and molecular weight is 236.21. What's more, its IUPAC name is 2-[4-(Trifluoromethylsulfanyl)phenyl]acetic acid. In addition, it must be stored in airtight containers and placed in a dry, cool place. Meanwhile, it should avoid contact with oxidant. Besides, you should ensure the work place is well-ventilated.

Physical properties about Acetic acid, 2-[[4-(Trifluoromethyl)phenyl]thio]- are: (1)ACD/LogP: 2.86; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.39; (4)ACD/LogD (pH 7.4): -0.35; (5)ACD/BCF (pH 5.5): 3; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 29.31; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 51.6 Å²; (13)Index of Refraction: 1.531; (14)Molar Refractivity: 50.66 cm³; (15)Molar Volume: 163.7 cm³; (16) Polarizability: 20.08×10^-24 cm³; (17)Surface Tension: 43.4 dyne/cm; (18)Density: 1.44 g/cm³; (19)Flash Point: 106.3 °C; (20)Enthalpy of Vaporization: 51.73 kJ/mol; (21)Boiling Point: 252.2 °C at 760 mmHg; (22)Vapour Pressure: 0.0102 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following: 
As a chemical, it is irritating to eyes, respiratory system and skin. In addition, this chemical may cause inflammation to the skin or other mucous membranes. During using it, wear suitable protective clothing. In case of contact 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)Sc1ccc(cc1)CC(=O)O
(2) InChI: InChI=1/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-UHFFFAOYAP