4-METHOXY-3-(TRIFLUOROMETHYL)BENZOIC ACID

The Benzoic acid,4-methoxy-3-(trifluoromethyl)-, with the CAS registry number of 213598-09-5, is also known as 3-(Trifluoromethyl)-p-anisic acid. It belongs to the product categories of Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; Benzene series. This chemical's molecular formula is C₉H₇F₃O₃ and molecular weight is 220.15. What's more, its IUPAC name is 4-Methoxy-3-(trifluoromethyl)benzoic acid. In addition, it must be stored in airtight containers and placed in a dry, cool place.

Physical properties about the Benzoic acid,4-methoxy-3-(trifluoromethyl)- are: (1)ACD/LogP: 3.48; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.01; (4)ACD/LogD (pH 7.4): 0.54; (5)ACD/BCF (pH 5.5): 8.9; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 63.84; (8)ACD/KOC (pH 7.4): 2.13; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 35.53 Å²; (13)Index of Refraction: 1.474; (14)Molar Refractivity: 44.84 cm³; (15)Molar Volume: 159.4 cm³; (16)Surface Tension: 33.3 dyne/cm; (17)Density: 1.38 g/cm³; (18)Flash Point: 129.3 °C; (19)Enthalpy of Vaporization: 55.92 kJ/mol; (20)Boiling Point: 290.1 °C at 760 mmHg; (21)Vapour Pressure: 0.000972 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. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice. In addition, during using it, wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1) SMILES: FC(F)(F)c1cc(ccc1OC)C(=O)O
(2) InChI: InChI=1/C9H7F3O3/c1-15-7-3-2-5(8(13)14)4-6(7)9(10,11)12/h2-4H,1H3,(H,13,14)
(3) InChIKey: VNWUPESTVBTYJM-UHFFFAOYAZ