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383503 Sigma-Aldrich

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

99%

  • CAS Number 5466-88-6

  • Empirical Formula (Hill Notation) C8H7NO2

  • Molecular Weight 149.15

  •  MDL number MFCD00158536

  •  PubChem Substance ID 24863974

  •  NACRES NA.22

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Properties

Related Categories Benzoxazines, Building Blocks, Chemical Synthesis, Heterocyclic Building Blocks
Quality Level   100
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.

Packaging

5, 25 g in glass bottle

Safety & Documentation

Safety Information

Symbol 
GHS07  GHS07
Signal word 
Warning
Hazard statements 
Precautionary statements 
Target organs 
Respiratory system
Personal Protective Equipment 
RIDADR 
NONH for all modes of transport
WGK Germany 
WGK 3
Flash Point(F) 
Not applicable
Flash Point(C) 
Not applicable
Protocols & Articles
Peer-Reviewed Papers
15

References

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