4-(1,1,2,2-TETRAFLUOROETHOXY)BENZOIC ACID

The Benzoic acid,4-(1,1,2,2-tetrafluoroethoxy)-, with its CAS registry number 10009-25-3, has the systematic name of 4-(1,1,2,2-tetrafluoroethoxy)benzoic acid. And it has the molecular formula of C₉H₆F₄O₃. Besides, it belongs to the product categories which include C9; Carbonyl Compounds; Carboxylic Acids.

The characteristics of Benzoic acid,4-(1,1,2,2-tetrafluoroethoxy)- are as follows: (1)ACD/LogP: 3.22; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.67; (4)ACD/LogD (pH 7.4): 0.25; (5)ACD/BCF (pH 5.5): 4.67; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 38.08; (8)ACD/KOC (pH 7.4): 1.44; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 35.53 Ų; (13)Index of Refraction: 1.459; (14)Molar Refractivity: 45.07 cm³; (15)Molar Volume: 164.6 cm³; (16)Polarizability: 17.86×10^-24cm³; (17)Surface Tension: 33.5 dyne/cm; (18)Density: 1.446 g/cm³; (19)Flash Point: 120.3 °C; (20)Enthalpy of Vaporization: 54.26 kJ/mol; (21)Boiling Point: 275.3 °C at 760 mmHg; (22)Vapour Pressure: 0.00249 mmHg at 25°C.

When you are using this chemical, you should be careful. For being a kind of corrosive chemical, it may destroy living tissue on contact and may even cause burns. Therefore, you should wear suitable protective clothing, gloves and eye/face protection, and if in case of contact with eyes, rinse immediately with plenty of water and seek medical advice. And if in case of accident or if you feel unwell, seek medical advice immediately (show the label where possible).

What's more, the following datas could be converted into the molecular structure:
(1)SMILES:FC(F)(Oc1ccc(cc1)C(=O)O)C(F)F
(2)InChI:InChI=1/C9H6F4O3/c10-8(11)9(12,13)16-6-3-1-5(2-4-6)7(14)15/h1-4,8H,(H,14,15)
(3)InChIKey:SVGWTILJZWYEMD-UHFFFAOYAX
(4)Std. InChI:InChI=1S/C9H6F4O3/c10-8(11)9(12,13)16-6-3-1-5(2-4-6)7(14)15/h1-4,8H,(H,14,15)
(5)Std. InChIKey:SVGWTILJZWYEMD-UHFFFAOYSA-N