3-Fluoro-4-methoxybenzoic acid

This chemical is called Benzoic acid, 3-fluoro-4-methoxy-, and its systematic name is 3-fluoro-4-methoxybenzoic acid. With the molecular formula of C₈H₇FO₃, its molecular weight is 170.14. The CAS registry number of this chemical is 403-20-3. Additionally, its product categories are Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; Acids & Esters;Anisoles, Alkyloxy Compounds & Phenylacetates; Fluorine Compounds; C8; Carbonyl Compounds.

Other characteristics of the Benzoic acid, 3-fluoro-4-methoxy- can be summarised as followings: (1)ACD/LogP: 2.18; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.8; (4)ACD/LogD (pH 7.4): -0.73; (5)ACD/BCF (pH 5.5): 1.11; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 15.24; (8)ACD/KOC (pH 7.4): 1; (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: 1.524; (14)Molar Refractivity: 39.85 cm³; (15)Molar Volume: 130.1 cm³; (16)Polarizability: 15.79×10^-24cm³; (17)Surface Tension: 42.9 dyne/cm; (18)Density: 1.307 g/cm³; (19)Flash Point: 127 °C; (20)Enthalpy of Vaporization: 55.5 kJ/mol; (21)Boiling Point: 286.4 °C at 760 mmHg; (22)Vapour Pressure: 0.00124 mmHg at 25°C.

Production method of this chemical: The Benzoic acid, 3-fluoro-4-methoxy- could be obtained by the reactants of bromomethane and 3-fluoro-4-hydroxy-benzoic acid. This reaction needs the reagents of ethanol, potassium hidroxide, and the solvent of H₂O. The yield is 64 %. In addition, this reaction should be taken for 25 hours. The other condition is heating.

Uses of this chemical: The 3-fluoro-4-hydroxy-benzoic acid could be obtained by the reactant of Benzoic acid, 3-fluoro-4-methoxy-. This reaction needs the reagents of AlBr₃, benzene.

When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting 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(ccc1OC)C(=O)O
2.InChI: InChI=1/C8H7FO3/c1-12-7-3-2-5(8(10)11)4-6(7)9/h2-4H,1H3,(H,10,11)
3.InChIKey: HYNNNQDQEORWEU-UHFFFAOYAZ