383503

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

99%

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

속성

• Quality Level: 100
• 분석: 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

설명

일반 설명

2H-1,4-Benzoxazin-3(4H)-one, a benzoxazine derivative, is a heterocyclic building block for various natural and synthetic organic compounds.[1] It has been reported as an intermediate during the biogenesis of cyclic hydoxamic acids in maize.[2] Its standard molar enthalpy of formation and tautomerization energy of its tautomers has been evaluated by calorimetric and computational methods.[3] It has been synthesized by reacting o-aminophenol with chloroacetyl chloride in the presence of butanone and aqueous NaHCO₃.[4]

안전성 정보

• 픽토그램: GHS07
• 신호어: Warning
• 유해 및 위험 성명서: H315,H319,H335
• 예방조치 성명서: P261 - P264 - P271 - P280 - P302 + P352 - P305 + P351 + P338
• Hazard Classifications: Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
• 표적 기관: Respiratory system
• Storage Class Code: 11 - Combustible Solids
• WGK: WGK 3
• Flash Point (°F): Not applicable
• Flash Point (°C): Not applicable
• 개인 보호 장비: dust mask type N95 (US), Eyeshields, Gloves