| Identification | More | [Name]
5-Bromo-6-azauracil | [CAS]
4956-05-2 | [Synonyms]
5-BROMO-6-AZAURACIL
6-BROMO-1,2,4-TRIAZINE-3,5(2H,4H)-DIONE
6-BROMO-2,3,4,5-TETRAHYDRO-1,2,4-TRIAZINE-3,5-DIONE
6-BROMO-2H-[1,2,4]TRIAZINE-3,5-DIONE
AURORA 14997
IFLAB-BB F1207-0035
VITAS-BB TBB000521
4h)-dione,6-bromo-as-triazine-5(2h
5-BROMO-6-AZAURACIL ,97% | [Molecular Formula]
C3H2BrN3O2 | [MDL Number]
MFCD00154757 | [Molecular Weight]
191.97 | [MOL File]
4956-05-2.mol |
| Chemical Properties | Back Directory | [Melting point ]
232-234 °C | [density ]
2.61±0.1 g/cm3(Predicted) | [storage temp. ]
Inert atmosphere,2-8°C | [form ]
powder | [pka]
6.11±0.40(Predicted) | [color ]
Off-white | [InChI]
InChI=1S/C3H2BrN3O2/c4-1-2(8)5-3(9)7-6-1/h(H2,5,7,8,9) | [InChIKey]
VNTFEWXYAOATFA-UHFFFAOYSA-N | [SMILES]
N1=C(Br)C(=O)NC(=O)N1 | [CAS DataBase Reference]
4956-05-2(CAS DataBase Reference) |
| Hazard Information | Back Directory | [Synthesis]
2H- [1, 2,4] triazin-3,5-dione (50 g, 442 mmol) is placed in 60 ml of bromine in 800 ml of water at 60°C for 10 h. The reaction medium is then run slowly onto an aqueous ammonia solution until pH = 5. It is then extracted with ethyl acetate and the organic phases are dried over MgS04. After filtration and concentration to dryness, 6-Bromo-1,2,4-triazine-3,5(2H,4H)-dione is isolated as a white solid (79.2 g, yield = 93 percent).
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