| Identification | More | [Name]
5-Bromo-8-nitroisoquinoline | [CAS]
63927-23-1 | [Synonyms]
5-BROMO-8-NITROISOQUINOLINE | [EINECS(EC#)]
804-292-8 | [Molecular Formula]
C9H5BrN2O2 | [MDL Number]
MFCD02091227 | [Molecular Weight]
253.05 | [MOL File]
63927-23-1.mol |
| Chemical Properties | Back Directory | [Melting point ]
136-140 °C | [Boiling point ]
386.9±27.0 °C(Predicted) | [density ]
1.747±0.06 g/cm3(Predicted) | [storage temp. ]
Sealed in dry,Room Temperature | [form ]
powder to crystal | [pka]
2?+-.0.36(Predicted) | [color ]
Light yellow to Yellow to Orange | [InChIKey]
ULGOLOXWHJEZNZ-UHFFFAOYSA-N | [CAS DataBase Reference]
63927-23-1(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
T | [Risk Statements ]
R25:Toxic if swallowed.
R37/38:Irritating to respiratory system and skin .
R41:Risk of serious damage to eyes. | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S39:Wear eye/face protection . | [RIDADR ]
UN 2811 | [WGK Germany ]
3 | [HS Code ]
2933499090 |
| Hazard Information | Back Directory | [Synthesis]
Example 2: An aqueous solution of potassium nitrate (1.78 g, 8.56 mmol) was slowly added dropwise to a solution of 5-bromoisoquinoline dissolved in 12 mL of concentrated sulfuric acid. The reaction mixture was stirred at room temperature for 3 hours before it was poured into ice water and neutralized with concentrated ammonium hydroxide solution. The resulting yellow precipitate was extracted by ethyl acetate (3 x 10 mL) and the combined organic layers were washed with saturated sodium chloride solution and dried over anhydrous magnesium sulfate. After filtration, the organic phase was concentrated under reduced pressure. The crude product was purified by silica gel column chromatography to afford 5-bromo-8-nitroisoquinoline in 96% yield using a hexane solution of 40% ethyl acetate as eluent. | [References]
[1] Patent: WO2004/76424, 2004, A1. Location in patent: Page 174-175
[2] Patent: EP698025, 1997, B1
[3] Patent: US5917053, 1999, A
[4] Patent: US5436250, 1995, A
[5] Patent: EP633262, 1995, A1 |
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