2H-1,4-Benzoxazin-3(4H)-one
ALDRICH/383503 - 99%
CAS Number: 5466-88-6
Empirical Formula (Hill Notation): C8H7NO2
Molecular Weight: 149.15
MDL Number: MFCD00158536
Linear Formula: C8H7NO2
Product Type: Chemical
| assay | 99% |
| InChI | 1S/C8H7NO2/c10-8-5-11-7-4 |
| InChI key | QRCGFTXRXYMJOS-UHFFFAOYSA |
| mp | 173-175 °C (lit.) |
| SMILES string | O=C1COc2ccccc2N1 |
| solubility | methanol: soluble 25 mg/mL, clear, colorless |
| 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. |
| Packaging: | 5, 25 g in glass bottle |
| Symbol |  GHS07 |
| Signal word | Warning |
| Hazard statements | H315 - H319 - H335 |
| Precautionary statements | P302 + P352 - P305 + P351 + P338 |
| Hazard Codes | Xi |
| Risk Statements | 36/37/38 |
| Safety Statements | 26-36 |
| RIDADR | NONH for all modes of transport |
| WGK Germany | WGK 3 |
| Flash Point(F) | Not applicable |
| Flash Point(C) | Not applicable |
| Purity | 99% |
| mp | 173-175 °C (lit.) |
| UNSPSC | 12352100 |