4-Bromo-3-nitrobenzaldehyde
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4-Bromo-3-nitrobenzaldehyde
structure -
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CAS No:
163596-75-6
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Formula:
C7H4BrNO3
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Chemical Name:
4-Bromo-3-nitrobenzaldehyde
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Synonyms:
Benzaldehyde,4-bromo-3-nitro-;4-Bromo-3-nitrobenzaldehyde;4-Bromo-5-nitrobenzaldehyde
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CAS No:
Characteristics
62.9
2
Light yellow powder
1.781±0.06 g/cm3(Predicted)
106 °C @ Solvent: Ethanol
289.3±30.0 °C(Predicted)
128.8±24.6 °C
1.653
Room temperature.
0.00222mmHg at 25°C
Safety Information
UN 3077 9 / PGIII
3
36/37/38-50-43-38-22
26-36-61-45-36/37
Xi
P261-P273-P280-P305 + P351 + P338
H315-H317-H319-H335-H400
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P272, P273, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P333+P313, P337+P313, P362, P363, P391, P403+P233, P405, and P501|Aggregated GHS information provided by 41 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
4-Bromo-3-nitrobenzaldehyde Use and Manufacturing
Step 1. 4-Bromo-3-nitrobenzaldehyde; A 100-mL 3-necked round-bottom flask was charged with NaNOGeneral procedure: The nitration of aldehydes was carried out in a three-neckedflask of 50 ml with magnetic stirrer. H2SO4 25 ml (0.47 M)were cooled to 0 °C, 3.1 ml (0.070 M) of HNO3 were added, and then the aldehyde (0.06 M) was slowly added. Thereaction was carried out at a temperature of 0–5 °C. Then, the mixture was heated at 40 °C for 1 h. The reaction waspoured into ice water and filtered under a vacuum; thenitrobenzaldehydes were purified by recrystallization. Thescheme of reaction is showed in Fig. 1 (Furniss et al. 1989).The spectrums of 1H NMR of nitrobenzaldehydes wereobtained in CDCl3 and TMS as reference.
Computed Properties
Molecular Weight:230.02
XLogP3:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:228.93746
Monoisotopic Mass:228.93746
Topological Polar Surface Area:62.9
Heavy Atom Count:12
Complexity:192
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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