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| | 2,4-Difluorobenzoic acid Basic information |
| Product Name: | 2,4-Difluorobenzoic acid | | Synonyms: | 2,4-DFBA;4-Difluorobenzoic acid;NSC 10312;2,4-Difluorobenzoic acid 98+%, 4-Difluorobenzoic acid 98+%;RARECHEM AL BO 0245;2,4-Difluorobenzonicacid;Benzoic acid, 2,4-difluoro-;2,4-Difluorobenzoic acid, 99% 5GR | | CAS: | 1583-58-0 | | MF: | C7H4F2O2 | | MW: | 158.1 | | EINECS: | 216-430-9 | | Product Categories: | Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts;API intermediates;Miscellaneous;Acids & Esters;Fluorine Compounds;Fluorobenzoic acids;FINE Chemical & INTERMEDIATES;blocks;Carboxes;FluoroCompounds;C7;Carbonyl Compounds;Carboxylic Acids;Benzoic acid series;Fluorin-contained Benzoic acid series;Aromatics;Miscellaneous Reagents;Fluorine series;bc0001;intermediate | | Mol File: | 1583-58-0.mol |  |
| | 2,4-Difluorobenzoic acid Chemical Properties |
| Melting point | 188-190 °C (lit.) | | Boiling point | 239.5±20.0 °C(Predicted) | | density | 1.3486 (estimate) | | storage temp. | Sealed in dry,Room Temperature | | solubility | DMSO (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly) | | form | Solid | | pka | 3.21±0.10(Predicted) | | color | Pale Orange to Light Pink | | Water Solubility | SOLUBLE | | BRN | 973355 | | InChI | InChI=1S/C7H4F2O2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,(H,10,11) | | InChIKey | NJYBIFYEWYWYAN-UHFFFAOYSA-N | | SMILES | C(O)(=O)C1=CC=C(F)C=C1F | | CAS DataBase Reference | 1583-58-0(CAS DataBase Reference) | | NIST Chemistry Reference | 2,4-Difluorobenzoic acid(1583-58-0) | | EPA Substance Registry System | Benzoic acid, 2,4-difluoro- (1583-58-0) |
| Hazard Codes | Xi | | Risk Statements | 36/37/38 | | Safety Statements | 26-37/39 | | WGK Germany | 3 | | TSCA | TSCA listed | | HazardClass | IRRITANT | | HS Code | 29163990 | | Storage Class | 11 - Combustible Solids | | Hazard Classifications | Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| | 2,4-Difluorobenzoic acid Usage And Synthesis |
| Chemical Properties | white to light yellow crystal powder | | Uses | 2,4-Difluorobenzoic Acid (cas# 1583-58-0) is a compound useful in organic synthesis. | | General Description | Molecular conformation, vibrational and electronic transition analysis of 2,4-difluorobenzoic acid has been investigated by experimental techniques (FT-IR, FT-Raman and UV) and quantum chemical calculations. | | Synthesis | To a reaction vessel was added 2,4-dinitrotoluene, water, adjusted the pH to 7, and heated to 75 C with stirring. Potassium permanganate, magnesium sulfate and phase transfer catalyst were added in batches. After the addition was completed, the reaction was continued to be stirred at constant temperature for 3 hours. Filter while hot and wash the filter cake with hot water. The filtrates were combined and acidified with 35% hydrochloric acid to pH 2-3, with a large amount of white precipitate to be completely precipitated by crystals, then pumped, washed, recrystallized, and dried to obtain white crystals of 2,4-dinitrobenzene formic acid. 2,4-Dinitrotoluene to potassium permanganate in the ratio of substance of 2.4:1. The product yield of this step was 90.7%.
To a reaction vessel was added N,N-dimethylmethylphthalamide, heated to 100~110C, and preheated for 0.5-1 h. Dry anhydrous potassium fluoride was added with stirring, and preheated at a maintained temperature for 0.5-1 h. Then 2,4-dinitrobenzene carboxylic acid and cetyltrimethylammonium bromide were added to the reaction vessel at one time in a rapid manner, and the reaction vessel was continued to be heated to 120C, maintained at a maintained temperature and continued to be stirred. Reaction. After refluxing the reaction for 7h, the solvent was recovered by distillation and the reaction solution was distilled with water vapor. The collected fraction was white emulsion, after standing for a period of time the oily destination fraction basically sank to the bottom, pour off the upper part of the white clear liquid, the oil cooled and precipitated white crystals to get the crude product; the crude product was recrystallized, filtered, washed and dried to get white crystals of 2,4-difluorobenzoic acid. 2,4-Dinitrobenzoic acid and potassium fluoride in the material amount of the ratio of 2.7:1. The yield of the product in this step was 72.4%. |
| | 2,4-Difluorobenzoic acid Preparation Products And Raw materials |
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