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| | 2H-1,4-BENZOXAZIN-3(4H)-ONE Basic information |
| | 2H-1,4-BENZOXAZIN-3(4H)-ONE Chemical Properties |
| Melting point | 173-175 °C(lit.) | | Boiling point | 337.7±31.0 °C(Predicted) | | density | 1.244±0.06 g/cm3(Predicted) | | storage temp. | Sealed in dry,Room Temperature | | solubility | methanol: soluble25mg/mL, clear, colorless | | pka | 12.89±0.20(Predicted) | | form | Flakes or Powder | | color | White to yellow to tan | | λmax | 286nm(EtOH)(lit.) | | InChI | 1S/C8H7NO2/c10-8-5-11-7-4-2-1-3-6(7)9-8/h1-4H,5H2,(H,9,10) | | InChIKey | QRCGFTXRXYMJOS-UHFFFAOYSA-N | | SMILES | O=C1COc2ccccc2N1 | | CAS DataBase Reference | 5466-88-6(CAS DataBase Reference) |
| Hazard Codes | Xi | | Risk Statements | 36/37/38 | | Safety Statements | 26-36-37/39 | | WGK Germany | 3 | | RTECS | DM3270000 | | HazardClass | IRRITANT | | HS Code | 29349990 | | Storage Class | 11 - Combustible Solids | | Hazard Classifications | Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| | 2H-1,4-BENZOXAZIN-3(4H)-ONE Usage And Synthesis |
| Chemical Properties | white to almost white crystalline powder | | Uses | 2H-1,4-Benzoxazin-3-one is used to prepare benzoxazinone/benzothiazinone analogs of fluconazole with antifungal and anti-Candida activities. It is used to synthesize 1,4-benzoxazine derivatives with vasorelaxant activities. | | Synthesis Reference(s) | Synthesis, p. 851, 1984 DOI: 10.1055/s-1984-30993 | | General Description | 2H-1,4-Benzoxazin-3(4H)-one, a benzoxazine derivative, is a heterocyclic building block for various natural and synthetic organic compounds. It has been reported as an intermediate during the biogenesis of cyclic hydoxamic acids in maize. Its standard molar enthalpy of formation and tautomerization energy of its tautomers has been evaluated by calorimetric and computational methods. It has been synthesized by reacting o-aminophenol with chloroacetyl chloride in the presence of butanone and aqueous NaHCO3. |
| | 2H-1,4-BENZOXAZIN-3(4H)-ONE Preparation Products And Raw materials |
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