|
|
| | 4-Chloro-3-fluorophenol Basic information |
| | 4-Chloro-3-fluorophenol Chemical Properties |
| Melting point | 54-56 °C (lit.) | | Boiling point | 84 °C/44 mmHg (lit.) | | density | 1.3675 (estimate) | | Fp | >230 °F | | storage temp. | Inert atmosphere,Room Temperature | | solubility | chloroform: soluble50mg/mL, clear, colorless | | pka | 8.52±0.18(Predicted) | | form | Liquid | | color | Colorless to pale yellow, may discolor to orange during storage | | BRN | 3236440 | | InChI | InChI=1S/C6H4ClFO/c7-5-2-1-4(9)3-6(5)8/h1-3,9H | | InChIKey | XLHYAEBESNFTCA-UHFFFAOYSA-N | | SMILES | C1(O)=CC=C(Cl)C(F)=C1 | | CAS DataBase Reference | 348-60-7(CAS DataBase Reference) |
| Hazard Codes | Xi,Xn | | Risk Statements | 36/37/38-20/21/22 | | Safety Statements | 26-37/39-36/37/39-24/25 | | RIDADR | 2811 | | WGK Germany | 3 | | Hazard Note | Irritant | | HazardClass | IRRITANT, IRRITANT-HARMFUL | | HazardClass | 8 | | HS Code | 29081990 | | Storage Class | 11 - Combustible Solids | | Hazard Classifications | Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| | 4-Chloro-3-fluorophenol Usage And Synthesis |
| Chemical Properties | White to salmon crystalline solid | | Uses | 4-Chloro-3-fluorophenol was used in the synthesis of 4-chloro-3-fluoro catechol and 5-Chloro-4-fluoro-2-hydroxyacetophenone. | | General Description | 4-Chloro-3-fluorophenol is hydroxylated at both ortho positions to yield different products. | | Synthesis | GENERAL METHOD: [2-(Phenoxy)-ethyl]-trimethyl-silane (195 mg, 1.0 mmol) was dissolved in anhydrous DMF (2 mL), cesium fluoride (576 mg, 3.0 mmol) was added, and the reaction was stirred for 1 hr at 60 °C. After the reaction was completed, the reaction mixture was diluted with water and extracted with ethyl acetate (3 × 20 mL). The organic layers were combined, washed sequentially with water and saturated saline, dried over anhydrous sodium sulfate, and concentrated under reduced pressure to afford 92 mg of 4-chloro-3-fluorophenol in 93% yield. The 1H NMR data of the compound was consistent with the standard, confirming its structure. | | References | [1] ISHIKAWA Y. 6-Chloro-7-fluoro-4-oxo-4H-chromene-3-carbaldehyde.[J]. Acta crystallographica. Section E, Structure reports online, 2014, 70 Pt 7: o825. DOI:10.1107/S1600536814014706.
[2] VIDYA S. SHIVATARE W. T. Vibronic and cation spectroscopy of selected rotamers of 4-chloro-3-fluorophenol[J]. Molecular Physics, 2014, 112 1: 2397-2406. DOI:10.1080/00268976.2014.904050. |
| | 4-Chloro-3-fluorophenol Preparation Products And Raw materials |
|