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| | 4-Phenoxybenzoic acid Basic information |
| | 4-Phenoxybenzoic acid Chemical Properties |
| Melting point | 163-165 °C (lit.) | | Boiling point | 314.35°C (rough estimate) | | density | 1.1956 (rough estimate) | | refractive index | 1.5090 (estimate) | | storage temp. | Sealed in dry,Room Temperature | | solubility | Very faint turbidity in hot methanol. | | form | Crystalline Powder | | pka | 4.57(at 25℃) | | color | White to slightly yellow | | Sensitive | Air Sensitive | | BRN | 2212463 | | InChI | 1S/C13H10O3/c14-13(15)10-6-8-12(9-7-10)16-11-4-2-1-3-5-11/h1-9H,(H,14,15) | | InChIKey | RYAQFHLUEMJOMF-UHFFFAOYSA-N | | SMILES | OC(=O)c1ccc(Oc2ccccc2)cc1 | | CAS DataBase Reference | 2215-77-2(CAS DataBase Reference) | | NIST Chemistry Reference | Benzoic acid, 4-phenoxy-(2215-77-2) | | EPA Substance Registry System | Benzoic acid, 4-phenoxy- (2215-77-2) |
| Hazard Codes | Xi | | Risk Statements | 36/37/38 | | Safety Statements | 26-37/39-36/37/39-36 | | WGK Germany | 3 | | RTECS | DH6293620 | | TSCA | TSCA listed | | HazardClass | IRRITANT | | HS Code | 29189900 | | Storage Class | 11 - Combustible Solids | | Hazard Classifications | Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 | | Toxicity | TDLo ivn-rat: 10,711 mg/kg BIPBU* 25,686,2002 |
| | 4-Phenoxybenzoic acid Usage And Synthesis |
| Chemical Properties | white to slightly yellow crystalline powder | | Uses | 4-Phenoxybenzoic acid can block DNA binding of the human papillomarvirus (HPV) E2 protein. It is employed as an intermediate of Sitafloxacin, which is a fluoroquinolone antibiotic that shows promise in the treatment of Buruli ulcer. | | Definition | ChEBI: A phenoxybenzoic acid in which the phenoxy group is para to the carboxy group. | | Safety Profile | A poison by intravenous route. When heated to decomposition it emits acrid smoke and irritating vapors. | | Synthesis | 4-Phenoxybenzoic acid was synthesized by oxidizing 4-phenoxyacetophenone with sodium hypochlorite as the oxidizing agent under the effect of phase transfer catalyst polyethylene glycol (PEG)-400, and the conditions of material ratio of the oxidation reaction, the selection and dosage of the phase transfer catalyst, and the pH of the reaction mixture were investigated in depth. The optimum conditions were as follows: 4-phenoxyacetophenone:sodium hypochlorite:PEG-400 was 1 mol:4 mol:150 mL, the pH of the reaction mixture was 12~13 (the effective chlorine of sodium hypochlorite was required to be >15%), and the product yield was more than 92%. |
| | 4-Phenoxybenzoic acid Preparation Products And Raw materials |
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