4-FLUORO-3-METHOXYBENZOIC ACID

The Benzoic acid,4-fluoro-3-methoxy- with CAS registry number of 82846-18-2 is also known as 3-Methoxy-4-fluorobenzoic acid. The IUPAC name is 4-Fluoro-3-methoxybenzoic acid. It belongs to product categories of Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; Carboxylic Acids; Phenyls & Phenyl-Het; Acids & Esters; Anisoles, Alkyloxy Compounds & Phenylacetates; Fluorine Compounds. In addition, the formula is C₈H₇FO₃ and the molecular weight is 170.14. This chemical is a white to light yellow crystal powder.

Physical properties about Benzoic acid,4-fluoro-3-methoxy- are: (1)ACD/LogP: 2.15; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.66; (4)ACD/LogD (pH 7.4): -0.8; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 11.51; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.524; (13)Molar Refractivity: 39.85 cm³; (14)Molar Volume: 130.1 cm³; (15)Surface Tension: 42.9 dyne/cm; (16)Density: 1.307 g/cm³; (17)Flash Point: 138.1 °C; (18)Enthalpy of Vaporization: 57.56 kJ/mol; (19)Boiling Point: 304.8 °C at 760 mmHg; (20)Vapour Pressure: 0.000376 mmHg at 25 °C.

Preparation of Benzoic acid,4-fluoro-3-methoxy-: it is prepared by reaction of 4-fluoro-3-methoxytoluene. The reaction needs reagent potassium permanganate, pyridine and solvent H₂O at the temperature of 50 °C for 3 hours. The yield is about 70%.

Uses of Benzoic acid,4-fluoro-3-methoxy-: it is used to produce 4-fluoro-3-methoxybenzoyl chloride. The reaction occurs with reagent thionyl chloride and other condition of heating for 4 hours. The yield is about 92%.

When you are using this chemical, please be cautious about it. As a chemical, it is irritating to eyes, respiratory system and skin. During using it, wear suitable protective clothing. 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. Canonical SMILES: COC1=C(C=CC(=C1)C(=O)O)F
2. InChI: InChI=1S/C8H7FO3/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4H,1H3,(H,10,11)
3. InChIKey: LWGCZCMLPRMKIZ-UHFFFAOYSA-N