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4-Fluoro-3-methoxybenzoic acid

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Name

4-Fluoro-3-methoxybenzoic acid

EINECS N/A
CAS No. 82846-18-2 Density 1.307 g/cm3
PSA 46.53000 LogP 1.53250
Solubility N/A Melting Point 206 °C
Formula C8H7FO3 Boiling Point 304.8 °C at 760 mmHg
Molecular Weight 170.14 Flash Point 138.1 °C
Transport Information N/A Appearance white to light yellow crystal powder
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 82846-18-2 (4-FLUORO-3-METHOXYBENZOIC ACID) Hazard Symbols IrritantXi
Synonyms

4-Fluoro-3-methoxybenzoicacid;4-Fluoro-m-anisic acid;3-Methoxy-4-fluorobenzoic acid;AC1LCBIE;AC1Q45LL;MolPort-000-155-646;CID598436;SBB051453;

Article Data 3

4-Fluoro-3-methoxybenzoic acid Specification

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%.

3,5-Difluoro-4-iodoaniline is prepared by reaction of 4-fluoro-3-methoxytoluene.

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%.

3,5-Difluoro-4-iodoaniline is used to produce 4-fluoro-3-methoxybenzoyl chloride.

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

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