2,5-Dibromobenzaldehyde
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2,5-Dibromobenzaldehyde
structure -
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CAS No:
74553-29-0
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Formula:
C7H4Br2O
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Chemical Name:
2,5-Dibromobenzaldehyde
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Synonyms:
2,5-Dibromobenzaldehyde;benzaldehyde, 2,5-dibromo-;2,5-Dibromo-benzaldehyde;zlchem 813;ACMC-20a0sm;2,5-di bromobenzaldehyde;Benzaldehyde,2,5-dibromo-;KSC493Q1H;SCHEMBL414267;2,5-Dibromobenzaldehyde, 97%
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CAS No:
Safety Information
UN 2923 8/PG 2
3
22-34-50/53
26-36/37/39-45-60-61
C,N
P273-P280-P305 + P351 + P338-P310
H301-H314-H400
|Danger|H301 (86.96%): Toxic if swallowed [Danger Acute toxicity, oral]|P260, P261, P264, P270, P271, P273, P280, P301+P310, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P337+P313, P362, P363, P391, P403+P233, P405, and P501|Aggregated GHS information provided by 46 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
2,5-Dibromobenzaldehyde Use and Manufacturing
Compound WX006-1 (500.00 mg, 1.89 mmol) and potassium isopropenyl trifluoroborate (195.78 mg, 1.32 mmol) were dissolved in 1, 4-dioxane (10 mL) under nitrogen atmosphere, followed by addition of (1, 1'-bis(diphenylphosphino)ferrocene)palladium dichloride dichloromethane complex (154.34 mg, 189.00 muL), potassium carbonate (522.43 mg, 3.78 mmol) and water (4 mL). The reaction mixture was heated to 50 C and stirred for 12 hours under nitrogen atmosphere. After completion of the reaction, the mixture was cooled to room temperature, followed by addition of water (50 mL) and extraction with ethyl acetate (50 mL × 2). The organic phases were combined, washed with saturated brine (50 mL×2), dried over anhydrous sodium sulfate, filtered to remove the desiccant and concentrated under reduced pressure. The insoluble material was removed by filtration, and the obtained residue was purified by flash silica gel column chromatography (eluent: ethyl acetate/petroleum ether = 1/9) (eluent: ethyl acetate/petroleum ether = 0/9-1/9) to obtain the title compound WX006-2 (colorless liquid, 500.00 mg, yield: 77.78%). 1H NMR (400MHz, CDCl3) delta: 10.07(s, 1H), 7.96(s, 1H), 7.59-7.57(d, J = 6Hz, 1H), 7.17-7.15 (d, J = 8Hz, 1H), 5.38(s, 1H), 4.85(s, 1H), 2.11(s, 3H).
Computed Properties
Molecular Weight:263.91
XLogP3:2.8
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:263.86084
Monoisotopic Mass:261.86289
Topological Polar Surface Area:17.1
Heavy Atom Count:10
Complexity:127
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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