Introduction：Basic information about 3,5-Difluorobenzoic acid CAS 455-40-3, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
3,5-Difluorobenzoic acid Basic information
| Product Name: | 3,5-Difluorobenzoic acid |
| Synonyms: | 3,5-Difluorobenzoicacid98%;3,5-difluorophenylcarboxylic acid;3,5-Difluorobenzoicacid,97%;3, 5 - two fluorine benzoic acid;3,5-DIFLUOROBENZOIC ACID;TIMTEC-BB SBB006663;RARECHEM AL BO 0255;3,5-Difluorobenzoic |
| CAS: | 455-40-3 |
| MF: | C7H4F2O2 |
| MW: | 158.1 |
| EINECS: | 610-261-8 |
| Product Categories: | Benzoic acid;Miscellaneous;FINE Chemical & INTERMEDIATES;blocks;Carboxes;FluoroCompounds;Boronic Acid series;Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts;Aromatic compound;C7;Carbonyl Compounds;Carboxylic Acids;Fluorine series;Fluorobenzoic acids;intermediate |
| Mol File: | 455-40-3.mol |
|
3,5-Difluorobenzoic acid Chemical Properties
| Melting point | 121-123 °C (lit.) |
| Boiling point | 243.2±20.0 °C(Predicted) |
| density | 1.3486 (estimate) |
| storage temp. | Sealed in dry,Room Temperature |
| solubility | Chloroform (Soluble), Methanol (Slightly) |
| pka | 3.52±0.10(Predicted) |
| form | Solid |
| color | White to Pale Yellow |
| BRN | 1940680 |
| InChI | InChI=1S/C7H4F2O2/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3H,(H,10,11) |
| InChIKey | GONAVIHGXFBTOZ-UHFFFAOYSA-N |
| SMILES | C(O)(=O)C1=CC(F)=CC(F)=C1 |
| CAS DataBase Reference | 455-40-3(CAS DataBase Reference) |
| EPA Substance Registry System | Benzoic acid, 3,5-difluoro- (455-40-3) |
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 |
3,5-Difluorobenzoic acid Usage And Synthesis
| Chemical Properties | off-white needles and chunks |
| Uses | 3,5-Difluorobenzoic Acid can be used as reactant/reagent in Rh(III)-catalyzed regioselective heterocyclization of benzoic acids with acrylates to give phthalides with water as the solvent |
| General Description | 3,5-Difluorobenzoic acid forms dimers that were stabilized by hydrogen bonds between carboxyl groups. The on-line determination of 3,5-difluorobenzoic acid in water was studied using membrane inlet mass spectrometry with in-membrane preconcentration. |
3,5-Difluorobenzoic acid Preparation Products And Raw materials
| Raw materials | Silane, (2,6-difluorophenyl)triethyl--->Silane, (3-bromo-2,6-difluorophenyl)triethyl--->(4-bromo-2,6-difluorophenyl)-triethylsilane-->3,5-Difluorobenzaldehyde-->MONOMETHYL CARBONATE SODIUM SALT-->Benzoic acid, 3,5-difluoro-4-(triethylsilyl)--->ETHYL 3,5-DIFLUOROBENZOATE-->Carbon dioxide-->3,5-Difluorophenol-->1-Bromo-3,5-difluorobenzene-->1,3-Difluorobenzene |
