2H-1,4-Benzoxazin-3(4H)-one
- CAS No.
- 5466-88-6
- Chemical Name:
- 2H-1,4-Benzoxazin-3(4H)-one
- Synonyms
- AURORA KA-5421;4-AZA-3-CHROMANONE;OTAVA-BB BB7020041238;1,4-Benzoxazine-3-one;BENZO[B]MORPHOLIN-3-ONE;2H-1,4-Benzoxazin-3-one;4H-1,4-benzoxazin-3-one;4H-BENZO[1,4]OXAZIN-3-ONE;3-OXO-4H-BENZO[1,4]OXAZINE;2H-1,4-Benzoxazin-3(4H)-one
- CBNumber:
- CB5111761
- Molecular Formula:
- C8H7NO2
- Molecular Weight:
- 149.15
- MDL Number:
- MFCD00158536
- MOL File:
- 5466-88-6.mol
- MSDS File:
- SDS
- TDS File:
- TDS
| 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 |
| pka | 12.89±0.20(Predicted) |
| form | Flakes or Powder |
| 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) |
| FDA UNII | Q0QAF5G662 |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
SAFETY
Risk and Safety Statements
| Symbol(GHS) | ![]() GHS07 |
|||||||||
|---|---|---|---|---|---|---|---|---|---|---|
| Signal word | Warning | |||||||||
| Hazard statements | H315-H319-H335 | |||||||||
| Precautionary statements | P261-P264-P271-P280-P302+P352-P305+P351+P338 | |||||||||
| target organs | Respiratory system | |||||||||
| PPE | dust mask type N95 (US), Eyeshields, Gloves | |||||||||
| Hazard Codes | Xi | |||||||||
| Risk Statements | 36/37/38 | |||||||||
| Safety Statements | 26-36-37/39 | |||||||||
| 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 |
|||||||||
| NFPA 704 |
|
2H-1,4-Benzoxazin-3(4H)-one price More Price(58)
| Manufacturer | Product number | Product description | CAS number | Packaging | Price | Updated | Buy |
|---|---|---|---|---|---|---|---|
| Sigma-Aldrich | 383503 | 2H-1,4-Benzoxazin-3(4H)-one 99% | 5466-88-6 | 25g | $70.8 | 2026-04-30 | Buy |
| Sigma-Aldrich | 383503 | 2H-1,4-Benzoxazin-3(4H)-one 99% | 5466-88-6 | 5g | $48 | 2023-06-20 | Buy |
| TCI Chemical | B4553 | 2H-1,4-Benzoxazin-3(4H)-one >98.0%(GC) | 5466-88-6 | 5g | $27 | 2026-04-30 | Buy |
| TCI Chemical | B4553 | 2H-1,4-Benzoxazin-3(4H)-one >98.0%(GC) | 5466-88-6 | 25g | $80 | 2026-04-30 | Buy |
| AstaTech | 64814 | 3-OXO-4H-BENZO[1,4]OXAZINE 97% | 5466-88-6 | 1G | $30 | 2026-04-30 | Buy |
2H-1,4-Benzoxazin-3(4H)-one Chemical Properties,Uses,Production
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.
2H-1,4-Benzoxazin-3(4H)-one Preparation Products And Raw materials
| Supplier | Tel | Country | ProdList | Advantage | |
|---|---|---|---|---|---|
| INTATRADE GmbH | +49 3493/605464 | sales@intatrade.de | Germany | 3563 | 66 |
| Alfa Aesar | 400-6106006 | saleschina@alfa-asia.com | China | 30103 | 84 |
| TCI (Shanghai) Development Co., Ltd. | 021-67121386 | Sales-CN@TCIchemicals.com | China | 24512 | 81 |
| Energy Chemical | 400-0056266 | sales8178@energy-chemical.com | China | 44850 | 61 |
| Wuhan Chemwish Technology Co., Ltd | 86-027-67849912 | sales@chemwish.com | China | 35884 | 56 |
| Capot Chemical Co., Ltd | +86 (0) 571 85 58 67 18 | China | 18187 | 66 | |
| Beijing Ouhe Technology Co., Ltd | 13552068683 13522913783 | 2355560935@qq.com | China | 11777 | 60 |
| Jia Xing Isenchem Co.,Ltd | 0573-85285100 18627885956 | isenchem@163.com | China | 9389 | 66 |
| Accela ChemBio Co.,Ltd. | 021-50795510 4000665055 | marketing@accelachem.com | China | 10972 | 64 |
| Shanghai Hanhong Scientific Co.,Ltd. | 021-54306202 13764082696 | info@hanhongsci.com | China | 42917 | 64 |
View Lastest Price from 2H-1,4-Benzoxazin-3(4H)-one manufacturers
| Image | Update time | Product | Price | Min. Order | Purity | Supply Ability | Manufacturer | |
|---|---|---|---|---|---|---|---|---|
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2019-07-06 | 2H-1,4-BENZOXAZIN-3(4H)-ONE
5466-88-6
|
$1.00 | 1KG | 98% | 1kg,5kg,100kg | Career Henan Chemical Co |
-

- 2H-1,4-BENZOXAZIN-3(4H)-ONE
5466-88-6
- $1.00
- 98%
- Career Henan Chemical Co
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