| Identification | More | [Name]
2H-1,4-BENZOXAZIN-3(4H)-ONE | [CAS]
5466-88-6 | [Synonyms]
2H-1,4-BENZOXAZIN-3(4H)-ONE
2H-1,4-BENZOXAZINE-3(4H)-ONE
2H-BENZO[B][1,4]OXAZIN-3(4H)-ONE
4-AZA-3-CHROMANONE
4H-BENZO[1,4]OXAZIN-3-ONE
AURORA KA-5421
BENZO[B]MORPHOLIN-3-ONE
OTAVA-BB BB7020041238
2H-1,4-Benzooxazin-3(4H)-one
2H-1,4-BENZOXAZIN-3(4H)-ONE 99%
3-OXO-4H-BENZO[1,4]OXAZINE
2H-1,4-Benzoxazin-3(4H)-one, (4-Aza-3-chromanone)
2,4-Dihydro-3H-1,4-benzoxazine-3-one
3,4-Dihydro-2H-1,4-benzoxazine-3-one | [Molecular Formula]
C8H7NO2 | [MDL Number]
MFCD00158536 | [Molecular Weight]
149.15 | [MOL File]
5466-88-6.mol |
| Chemical Properties | Back Directory | [Appearance]
white to almost white crystalline powder | [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 | [form ]
Flakes or Powder | [pka]
12.89±0.20(Predicted) | [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) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
S37/39:Wear suitable gloves and eye/face protection . | [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 |
| Hazard Information | Back Directory | [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. |
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Alfa Aesar
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Energy Chemical
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www.energy-chemical.com |
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Jia Xing Isenchem Co.,Ltd
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0573-85285100 18627885956 |
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Shanghai Ennopharm Co., Ltd.
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