3-BROMO-5-NITROBENZALDEHYDE
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3-BROMO-5-NITROBENZALDEHYDE
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CAS No:
355134-13-3
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Formula:
C7H4BrNO3
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Chemical Name:
3-BROMO-5-NITROBENZALDEHYDE
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Synonyms:
3-BROMO-5-NITROBENZALDEHYDE;3-Fluoro-5-nitrobenzaldehyde;3-BroMo-5-nitrobenzaldehyde, 97+%;3-Bromo-5-formylnitrobenzene;Benzaldehyde,3-bromo-5-nitro-
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CAS No:
Characteristics
62.9
1.9
Pale brown Powder
1.8±0.1 g/cm3
101-106 °C
306.9°C at 760 mmHg
139.4±23.7 °C
1.653
Safety Information
NONH for all modes of transport
3
22-36/37/38-43
26-36/37
Xn
P261-P280-P305 + P351 + P338
H302-H315-H317-H319-H335
|Warning|H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P272, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P333+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 40 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
3-BROMO-5-NITROBENZALDEHYDE Use and Manufacturing
To a solution of 3-nitrobenzaldehyde (1.0 g, 6.6 mmol) inconcentrated sulfuric acid (4.0 mL) was added N-bromosuccinimide (1.4 g, 7.9 mmol) in small portions at room temperature andthen heated to 65 C for 1 h. After cooling to the room temperature, the solution was poured into ice water and the precipitate wasfiltered. The crude product was dried over Na2SO4 and recrystallized from EtOAc/petroleum ether (1/10) to obtain 13 (1.3 g, 82percent) aswhite crystals. 1H NMR (300 MHz, DMSO-d6) d: 10.09 (s, 1H), 8.79e8.55 (m, 2H), 8.51 (s, 1H).General procedure: All reactions were performed in a glass flask slurry reactor connected to an O
Computed Properties
Molecular Weight:230.02
XLogP3:1.9
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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