2,3,4,5-Tetrafluorobenzoic acid

The IUPAC name of this chemical is 2,3,4,5-Tetrafluorobenzoic acid. With the CAS registry number 1201-31-6, it is also named as benzoicacid, 2,3,4,5-tetrafluoro-. In addition, the molecular formula is C₇H₂F₄O₂ and the molecular weight is 194.08. It is a kind of white to light yellow crystal powder and belongs to the classes of Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; Benzoic Acid; API Intermediates; Miscellaneous; C7; Carbonyl Compounds; Carboxylic Acids. And it should be stored in a cool and dry place.

Physical properties about this chemical are: (1)ACD/LogP: 2.44; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 2; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 26.3 Å²; (10)Index of Refraction: 1.47; (11)Molar Refractivity: 33.15 cm³; (12)Molar Volume: 118.8 cm³; (13)Polarizability: 13.14 ×10^-24cm³; (14)Surface Tension: 39.5 dyne/cm; (15)Density: 1.633 g/cm³; (16)Flash Point: 98.5 °C; (17)Enthalpy of Vaporization: 50.31 kJ/mol; (18)Boiling Point: 239.2 °C at 760 mmHg; (19)Vapour Pressure: 0.0221 mmHg at 25°C.

Preparation of 2,3,4,5-Tetrafluorobenzoic acid: it can be prepared by 3,4,5,6-tetrafluorinephthalic acid and H₂O. This reaction should react for 5 hours at reaction temperature of 190 °C with stirring. And then after a series of filtration, washing, drying and extraction by ethyl ether you can get the desired product. The yield is about 94.5%.

Uses of 2,3,4,5-Tetrafluorobenzoic acid: it can be used to prepare pesticide and liquid crystal. And it is used as pharmaceutical intermediates in preparation of ofloxacin. In addition, it can be used to get ,3,4,5-tetrafluoro-6-nitrobenzoic acid. This reaction will need reagents fuming HNO₃ and H₂SO₄. The reaction time is 5.5 hours at reaction temperature of 70 °C. The yield is about 35%.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing, gloves and eye/face protection. 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: Fc1c(cc(F)c(F)c1F)C(=O)O
(2)InChI: InChI=1/C7H2F4O2/c8-3-1-2(7(12)13)4(9)6(11)5(3)10/h1H,(H,12,13)
(3)InChIKey: SFKRXQKJTIYUAG-UHFFFAOYAG