2-Bromo-4-fluorobenzaldehyde
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2-Bromo-4-fluorobenzaldehyde
structure -
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CAS No:
59142-68-6
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Formula:
C7H4BrFO
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Chemical Name:
2-Bromo-4-fluorobenzaldehyde
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Synonyms:
Benzaldehyde,2-bromo-4-fluoro-;2-Bromo-4-fluorobenzaldehyde;4-Fluoro-2-bromobenzaldehyde
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CAS No:
Characteristics
17.1
2.2
1.7±0.1 g/cm3
61.5
234.9°C at 760 mmHg
95.9±21.8 °C
1.585
Room temperature.
Safety Information
IRRITANT, LIGHT SENSITIVE
36/37/38-52-36-22
26-36/37/39
Xi,Xn
Irritant
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501
H315
|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 4 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
2-Bromo-4-fluorobenzaldehyde Use and Manufacturing
General procedure: The benzyl alcohols substrates (1a–1p) (0.2mmol), FeClGeneral procedure: A 30-mL Schlenk tube was evacuated and filled with OTo a-78 °C cooled solution of oxalyl chloride (8.43 ml, 96.58 mmol) in anhydrous dichloromethane (300 ml) was added dropwise dimethyl sulfoxide (13.71 ML, 193.16 mmol). The mixture was stirred at-78 °C for 5 minutes then a solution of Description 14 (18 g, 87.8 mmol) in anhydrous dichloromethane (150 ml) was added slowly. The resulting mixture was stirred at-78 °C for 15 minutes then triethylamine (36.71 ml, 263.4 mmol) was added and the mixture allowed to warm to room temperature over 1 hour. The mixture was washed with water (2 x 500 ml), saturated NaCI (200 ml), dried over NA2S04, filtered through a 2 inch plug of silica gel and evaporated to give the title compound (16 g, 89percent) as a white solid.
Used in the synthesis of medicine and pesticide intermediates
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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