3-Bromo-2,6-difluorobenzaldehyde
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3-Bromo-2,6-difluorobenzaldehyde
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CAS No:
398456-82-1
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Formula:
C7H3BrF2O
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Chemical Name:
3-Bromo-2,6-difluorobenzaldehyde
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Synonyms:
Benzaldehyde,3-bromo-2,6-difluoro-;3-Bromo-2,6-difluorobenzaldehyde
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CAS No:
Safety Information
Xi
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 7 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
3-Bromo-2,6-difluorobenzaldehyde Use and Manufacturing
Lithium diisopropylamide (2 M THF solution, 13 mL, 26 mmol) was added at -78° C. to a THF (80 mL) solution of 1-bromo-2, 4-difluorobenzene (5.0 g, 25.9 mmol), and the mixture was stirred for 1 hour at the same temperature. DMF (2.0 g, 28 mmol) was added to the solution, and the mixture was stirred for another 30 min. The addition of water to the reaction solution was followed by extraction with ethyl acetate. The combined organic layers were washed with 1 N hydrochloric acid and water, then dried over anhydrous magnesium sulfate, and then concentrated at reduced pressure, and the residue was purified by silica gel column chromatography (ethyl acetate-hexane 1:9) to give 3.0 g of the titled compound (yield 32percent). Melting point: 53-54° C.(R)-3 -(Qert-butyldiphenylsilyl)oxy)-2, 2-difluoro-N-( 1 -(5 -fluoro- 1 H-indol-3 -yl)propan-2- yl)propan-1-amine (352 mg, 0.67 mmol) and
Computed Properties
Molecular Weight:221.00
XLogP3:2.3
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:219.93353
Monoisotopic Mass:219.93353
Topological Polar Surface Area:17.1
Heavy Atom Count:11
Complexity:153
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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3-Bromo-2,6-difluorobenzaldehyde
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