| Identification | More | [Name]
4-Bromo-1-chloroisoquinoline | [CAS]
66728-98-1 | [Synonyms]
4-BROMO-1-CHLOROISOQUINOLINE
1-Chloro-4-bromoisoquinoline | [EINECS(EC#)]
676-392-8 | [Molecular Formula]
C9H5BrClN | [MDL Number]
MFCD00234469 | [Molecular Weight]
242.5 | [MOL File]
66728-98-1.mol |
| Chemical Properties | Back Directory | [Melting point ]
97 °C (decomp) | [Boiling point ]
328.8±22.0 °C(Predicted) | [density ]
1.673±0.06 g/cm3(Predicted) | [storage temp. ]
under inert gas (nitrogen or Argon) at 2-8°C | [pka]
-0.02±0.31(Predicted) | [InChI]
InChI=1S/C9H5BrClN/c10-8-5-12-9(11)7-4-2-1-3-6(7)8/h1-5H | [InChIKey]
HRWILRGBDZGABZ-UHFFFAOYSA-N | [SMILES]
C1(Cl)C2=C(C=CC=C2)C(Br)=CN=1 | [CAS DataBase Reference]
66728-98-1(CAS DataBase Reference) |
| Hazard Information | Back Directory | [Uses]
4-Bromo-1-chloroisoquinoline is an isoquinoline derivative whose molecular structure contains substituents chlorine and bromine atoms at positions 1 and 4. The product can be used in metal-catalysed cross-coupling reactions and in the preparation of pharmaceuticals. |
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