4-Bromo-2-fluorobenzaldehyde
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4-Bromo-2-fluorobenzaldehyde
structure -
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CAS No:
57848-46-1
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Formula:
C7H4BrFO
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Chemical Name:
4-Bromo-2-fluorobenzaldehyde
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Synonyms:
Benzaldehyde,4-bromo-2-fluoro-;4-Bromo-2-fluorobenzaldehyde;2-Fluoro-4-bromobenzaldehyde
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CAS No:
Characteristics
17.1
2.2
light yellow to beige crystalline solid, crystals
1.7±0.1 g/cm3
59-64 °C
42°C19mm
42°C/19mm
1.585
H2O: INsoluble
Room temperature.
Safety Information
IRRITANT, AIR SENSITIVE
NONH for all modes of transport
3
36/37/38
37/39-26-36
Xi
Irritant
P261-P305 + P351 + P338
H315-H319-H335
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 49 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
4-Bromo-2-fluorobenzaldehyde Use and Manufacturing
To a solution of (4-bromo-3-fluoro-phenyl)-methanol (7.9 g, 38.5 mmol) in dichloromethane (160.0 mL) was added sodium acetate (940 mg, 11.5 mmol) followed by pyridinium chlorochromate (10.8 g, 50.0 mmol) at room temperature. The reaction mixture was stirred at room temperature under light protection over a period of 2 h. The resulting reaction mixture was diluted with ethyl acetate (1.0 L) and filtered through celite pad. The filtrate obtained was washed with aqueous sodium bicarbonate (600 mL), water (600 mL) and dried over sodium sulphate. The crude product obtained upon evaporation of the solvent was further purified by column chromatography to give 4-bromo-2-fiuoro- benzaldehyde as white solid (5.0 g, 63percent).To a solution of (4-bromo-3-fluoro-phenyl)-methanol (7.9 g, 38.5 mmol) in dichloromethane (160.0 mL) was added sodium acetate (940 mg, 11.5 mmol) followed by pyridinium chlorochromate (10.8 g, 50.0 mmol) at room temperature.
4-Bromo-2-fluorobenzaldehyde is used in the synthesis of Nigeglanine hydrobromide.
Computed Properties
Molecular Weight:203.01
XLogP3:2.2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:201.94296
Monoisotopic Mass:201.94296
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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