Introduction：Basic information about 2,5-Difluorobenzoic acid CAS 2991-28-8, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
2,5-Difluorobenzoic acid Basic information
| Product Name: | 2,5-Difluorobenzoic acid |
| Synonyms: | 2,5-DIFLUOROBENZOIC ACID;RARECHEM AL BO 0019;Benzoic acid, 2,5-difluoro-;2,5-Difluorobenzic acid;2-chloro-6-flurobenzyl cyanide;2,5-Difluorobenzoic;2,5-Difluorobenzoic acid 98%;2,5-Difluorobenzoicacid98% |
| CAS: | 2991-28-8 |
| MF: | C7H4F2O2 |
| MW: | 158.1 |
| EINECS: | 221-060-6 |
| Product Categories: | Fluorine series;Indazoles;Organic Fluorinated Building Blocks;Other Fluorinated Organic Building Blocks;Aryl Fluorinated Building Blocks;Building Blocks;Carbonyl Compounds;Carboxylic Acids;Chemical Synthesis;Fluorinated Building Blocks;Organic Building Blocks;blocks;Carboxes;FluoroCompounds;Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts;Fluorobenzene;Miscellaneous;Fluorobenzoic acids;C7;Carbonyl Compounds;Carboxylic Acids;Benzoic acid series;Fluorin-contained Benzoic acid series |
| Mol File: | 2991-28-8.mol |
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2,5-Difluorobenzoic acid Chemical Properties
| Melting point | 132-134 °C (lit.) |
| Boiling point | 244.7±20.0 °C(Predicted) |
| density | 1.3486 (estimate) |
| storage temp. | Sealed in dry,Room Temperature |
| solubility | acetone: soluble25mg/mL, clear, faintly yellow |
| pka | 2.93±0.10(Predicted) |
| form | Solid |
| color | White |
| Water Solubility | Insoluble in water. |
| BRN | 973351 |
| InChI | InChI=1S/C7H4F2O2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,(H,10,11) |
| InChIKey | LBQMIAVIGLLBGW-UHFFFAOYSA-N |
| SMILES | C(O)(=O)C1=CC(F)=CC=C1F |
| CAS DataBase Reference | 2991-28-8(CAS DataBase Reference) |
| NIST Chemistry Reference | 2,5-Difluorobenzoic acid(2991-28-8) |
| EPA Substance Registry System | Benzoic acid, 2,5-difluoro- (2991-28-8) |
Safety Information
| 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 |
2,5-Difluorobenzoic acid Usage And Synthesis
| Chemical Properties | white crystalline powder |
| Uses | 2,5-Difluorobenzoic acid is used in the preparation of hydrazone derivatives, which acts as a potential antibacterial agent. |
| Synthesis Reference(s) | Journal of Medicinal Chemistry, 28, p. 1864, 1985 DOI: 10.1021/jm00150a018 |
| General Description | 2,5-Difluorobenzoic acid has been quantitated in ground water samples by liquid chromatography-tandem mass spectrometry. |
2,5-Difluorobenzoic acid Preparation Products And Raw materials
| Raw materials | 2,3,4,6-TETRAFLUOROBENZOIC ACID-->2',5'-Difluoroacetophenone-->1-Bromo-2,5-difluorobenzene-->Carbon dioxide-->1,2,4-Trifluorobenzene-->1,2,3,5-Tetrafluorobenzene-->1,4-Difluorobenzene |
| Preparation Products | Solvent Violet 9-->3-Fluorobenzoic acid-->(2,5-Difluoro-phenyl)-carbaMic acid tert-butyl ester-->RARECHEM AL BI 0214 |
