383503

2H-1,4-Benzoxazin-3(4H)-one

99%

• Empirical Formula (Hill Notation): C₈H₇NO₂
• CAS Number: 5466-88-6
• Molecular Weight: 149.15
• MDL number: MFCD00158536
• UNSPSC Code: 12352100
• PubChem Substance ID: 24863974
• NACRES: NA.22

Properties

• Assay: 99%
• mp: 173-175 °C (lit.)
• solubility: methanol: soluble 25 mg/mL, clear, colorless
• SMILES string: O=C1COc2ccccc2N1
• InChI: 1S/C8H7NO2/c10-8-5-11-7-4-2-1-3-6(7)9-8/h1-4H,5H2,(H,9,10)
• InChI key: QRCGFTXRXYMJOS-UHFFFAOYSA-N

Description

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.

Safety Information

• Pictograms: GHS07
• Signal Word: Warning
• Hazard Statements: H315,H319,H335
• Precautionary Statements: P261 - P264 - P271 - P280 - P302 + P352 - P305 + P351 + P338
• Hazard Classifications: Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
• Target Organs: Respiratory system
• Storage Class Code: 11 - Combustible Solids
• WGK: WGK 3
• Flash Point(F): Not applicable
• Flash Point(C): Not applicable
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves