3-Fluoro-4-hydroxybenzoic acid

The 3-Fluoro-4-hydroxybenzoic acid, with the CAS registry number of 350-29-8, is also known as 3-Fluoro-4-hydroxybenzoic acid hydrate and 3-Fluoro-4-hydroxybenzoate. It belongs to the product categories of Blocks; Carboxes; FluoroCompounds; Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; Benzoic acid; Acids & Esters; Fluorine Compounds; Phenols; C7; Carbonyl Compounds; Carboxylic Acids. This chemical's molecular formula is C₇H₅FO₃ and molecular weight is 156.11.

Physical properties about are: (1)ACD/LogP: 1.86; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.46; (4)ACD/LogD (pH 7.4): -1.17; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 9.61; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 35.53 Å²; (13)Index of Refraction: 1.585; (14)Molar Refractivity: 35.05 cm³; (15)Molar Volume: 104.6 cm³; (16)Polarizability: 13.89×10^-24 cm³; (17)Surface Tension: 60.3 dyne/cm; (18)Density: 1.492 g/cm³; (19)Flash Point: 142.4 °C; (20)Enthalpy of Vaporization: 58.37 kJ/mol; (21)Boiling Point: 311.9 °C at 760 mmHg; (22)Vapour Pressure: 0.000234 mmHg at 25 °C; (23)Melting Point: 154-158 °C(lit. ).

Preparation: this chemical is prepared by 3-Fluoro-4-methoxy-benzoic acid. The reaction needs reagent BBr₃ and solvent CH₂Cl₂. The reaction temperature is -78 - 20 °C. The yield is about 96 %.

Uses: it is used to produce other chemicals. For example, it is used to produce 4-Butoxy-3-fluoro-benzoic acid at heating. This reaction needs reagents Ethanol and Potassium hidroxide. Meanwhile, it needs solvent H₂O. The reaction time is 25 hours. The yield is about 43 %.

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. 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: Fc1cc(C(=O)O)ccc1O
(2) InChI: InChI=1/C7H5FO3/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3,9H,(H,10,11)
(3) InChIKey: IUSDEKNMCOUBEE-UHFFFAOYAM