2-BROMO-4-IODOBENZALDEHYDE
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2-BROMO-4-IODOBENZALDEHYDE
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CAS No:
261903-03-1
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Formula:
C7H4BrIO
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Chemical Name:
2-BROMO-4-IODOBENZALDEHYDE
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Synonyms:
2-Bromo-4-iodobenzaldehyde;Benzaldehyde, 2-bromo-4-iodo-;Benzaldehyde,2-bromo-4-iodo-;SCHEMBL3722088;CTK4F7329;DTXSID60660765;KS-00000L2G;ANW-49523;MFCD07779025;WT1557
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CAS No:
2-BROMO-4-IODOBENZALDEHYDE Use and Manufacturing
Lambda/-hydroxy-6-[4-(pyridin-3-ylethynyl)phenyl]isoquinoline-8-carboxamide; A. Lambda/-[(Z)-(2-bromo-4-iodophenyl)methylidene]-2, 2-dimethoxyethanamine; To a solution of 2-bromo 4-iodobenzaldehyde (5.0 g, 16.1 mmol) in dry toluene (50 mL) was added aminoacetaldehyde dimethyl acetal (3.5 mL, 32.2 mmol) at room temperature. The reaction mixture was refluxed under Dean-Stark trap for 18 h. The solvent was evaporated under reduced pressure to obtain the title compound (6.2 g, crude) as an off-white solid. LC-MS: [M, M+2]+ 399.7 Mass: calculated for CnHi3BrINO2, 398.04 1H NMR (400 MHz, delta ppm, CDCl3): delta 8.56 (s, IH), 7.94 (d, IH), 7.74 (d, IH), 7.67 (m, IH), 4.68 (t, IH), 3.81 (d, 2H), 3.42 (s, 6H).
Computed Properties
Molecular Weight:310.91
XLogP3:2.7
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:309.84902
Monoisotopic Mass:309.84902
Topological Polar Surface Area:17.1
Heavy Atom Count:10
Complexity:129
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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