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| | 4,5-Difluoro-2-nitrobenzoic acid Basic information |
| Product Name: | 4,5-Difluoro-2-nitrobenzoic acid | | Synonyms: | 2-NITRO-4,5-DIFLUOROBENZOIC ACID;4,5-DIFLUORO-2-NITROBENZOIC ACID;4,5-difluoro-2-nitrobenzenecarboxylic acid;4,5-two fluoro -2-Nitrobenzoic Acid;4,5-Difluoro-2-nitrobenzoicAcid>;Benzoic acid, 4,5-difluoro-2-nitro-;4,5-Difluoro-2-nitrobenzoicaci;4,5-Difluoro-2-nitrobenzoic acid ISO 9001：2015 REACH | | CAS: | 20372-63-8 | | MF: | C7H3F2NO4 | | MW: | 203.1 | | EINECS: | 1533716-785-6 | | Product Categories: | C7;Carbonyl Compounds;Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts;Benzoic acid;API intermediates;Carboxylic Acids;Acids and Derivatives | | Mol File: | 20372-63-8.mol |  |
| | 4,5-Difluoro-2-nitrobenzoic acid Chemical Properties |
| Melting point | 165-167 °C (lit.) | | Boiling point | 349.7±42.0 °C(Predicted) | | density | 1.661±0.06 g/cm3(Predicted) | | storage temp. | Sealed in dry,Room Temperature | | form | powder to crystal | | pka | 1.85±0.25(Predicted) | | color | White to Light yellow | | InChI | 1S/C7H3F2NO4/c8-4-1-3(7(11)12)6(10(13)14)2-5(4)9/h1-2H,(H,11,12) | | InChIKey | HGGRAOYTQNFGGN-UHFFFAOYSA-N | | SMILES | OC(=O)c1cc(F)c(F)cc1[N+]([O-])=O | | CAS DataBase Reference | 20372-63-8(CAS DataBase Reference) |
| Hazard Codes | Xi | | Risk Statements | 36/37/38 | | Safety Statements | 26 | | WGK Germany | 3 | | HazardClass | IRRITANT | | HS Code | 29163990 | | Storage Class | 11 - Combustible Solids | | Hazard Classifications | Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| | 4,5-Difluoro-2-nitrobenzoic acid Usage And Synthesis |
| Chemical Properties | Solid | | Uses | 4,5-Difluoro-2-nitrobenzoic acid can be obtained from the nitration of 4,5-difluorobenzoic acid or 3,4-difluorobenzoic acid. | | General Description | 4,5-Difluoro-2-nitrobenzoic acid can be obtained from the nitration of 4,5-difluorobenzoic acid or 3,4-difluorobenzoic acid. | | Synthesis | Step 1: 3,4-difluorobenzoic acid (120.0 g, 0.7589 mol) and concentrated sulfuric acid (96.4%, 1.0 L) were added to a 2 L three-necked round-bottom flask. The mixture was mechanically stirred at room temperature for 1.0 hour and then cooled to 0°C. Fuming nitric acid (>90% HNO3 content, 57.30 mL, 1.273 mmol, 1.677 eq.) was added dropwise over 30 minutes. After addition, the reaction mixture was stirred at room temperature for 16 hours. Subsequently, the reaction mixture was slowly poured into crushed ice (5 Kg) under stirring. 4,5-difluoro-2-nitrobenzoic acid precipitated as a yellow solid. The slurry was continued to be stirred at 0 °C for 0.5 h. The solid product was then collected by filtration through a Brinell funnel. The yellowish solid was washed with cold water and air dried; 120 g of product was obtained in 79% yield. | | References | [1] Journal of Heterocyclic Chemistry, 2001, vol. 38, # 1, p. 61 - 67
[2] Farmaco, 2001, vol. 56, # 9, p. 664 - 676
[3] Patent: WO2008/36843, 2008, A2. Location in patent: Page/Page column 31-33
[4] Patent: US4994606, 1991, A
[5] Patent: US5003103, 1991, A |
| | 4,5-Difluoro-2-nitrobenzoic acid Preparation Products And Raw materials |
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