HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2-Fluorbenzoesure
OFBA · 2-fluorobenzoate · O-FLUOROBENZOIC ACID · 2-FLUOROBENZOHYDRAZIDE · ortho-Fluorobenzoic acid · NSC 10319 · Adjacent acid · uorobenzoic acid
Identifikatoren & physikalische Daten
| CAS No. | 41406-98-8 |
|---|---|
| Summenformel | C7H5FO2 |
| Durchschnittliche Molmasse | 140,11 g/mol |
| Monoisotopische Masse | 140,02735756 g/mol |
| SMILES | O=C(O)c1ccccc1F |
| InChIKey | NSTREUWFTAOOKS-UHFFFAOYSA-N |
| PubChem CID | 9935 |
| ChEMBL | CHEMBL114383 |
| ChEBI | CHEBI:19577 |
| EC No. | 207-158-1 |
| DTXSID | DTXSID1060001 |
| Lokaler Name | 2-Fluorbenzoesure |
Chemische & physikalische Eigenschaften
| XLogP | 1,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 37,3 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 136 |
| Schmelzpunkt | 122-125 °C (lit.) |
| Siedepunkt | 114 °C |
| Dichte | 1,46 g/cm3 |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | 7.2g/lSlightly soluble in water. |
| Aggregatzustand | Crystalline Powder or Needles |
| pKa (Säurekonstante) | 3.27(at 25℃) |
| Farbe | White to light yellow |
| BRN | 971265 |
| InChI | InChI=1S/C7H5FO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,(H,9,10) |
| InChIKey | NSTREUWFTAOOKS-UHFFFAOYSA-N |
| SMILES | C(O)(=O)C1=CC=CC=C1F |
| CAS Datenbank | 445-29-4(CAS DataBase Reference) |
| NIST chemische Informationen | Benzoic acid, 2-fluoro-(445-29-4) |
| EPA chemische Informationen | Benzoic acid, 2-fluoro- (445-29-4) |
Sicherheit & Vorschriften
| Wassergefährdungsklasse (WGK) | 3 |
|---|---|
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29163900 |
| RTECS-Nr. | DH0250000 |
| R-Sätze (R) | 37/38-36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 22-26-28-24/25-37/39-36 |
| Gefahrenklasse | IRRITANTEye Irrit. 2Skin Irrit. 2 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
2-Fluorobenzoic acid is an intermediate of the fungicide tritriazole and meclofenamic acid.
Verwenden
2-Fluorobenzoic acid may be employed in the preparation of zaragozic acid A analogs. It is also used as an organic chemical synthesis intermediate.
Herstellung & Synthese
synthetische
The preparation of 2-fluorobenzoic acid is based on anthranilic acid as raw material, adding anhydrous hydrogen fluoride and sodium nitrite in methoxyethyl methyl ether solvent for diazotization, refluxing for 3 hours, and post-processing to obtain the finished product.