2-Bromo-5-(trifluoromethyl)benzaldehyde
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2-Bromo-5-(trifluoromethyl)benzaldehyde
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CAS No:
102684-91-3
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Formula:
C8H4BrF3O
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Chemical Name:
2-Bromo-5-(trifluoromethyl)benzaldehyde
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Synonyms:
2-Bromo-5-(trifluoromethyl)benzaldehyde;4-Bromo-3-formylbenzotrifluoride;4-Bromo-3-formylbenzotrifluoride, 6-Bromo-alpha,alpha,alpha-trifluoro-m-tolualdehyde;2-BroMo-5-(trifluoroMethyl)benzaldehyde, 95+%
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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 8 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
2-Bromo-5-(trifluoromethyl)benzaldehyde Use and Manufacturing
Preparation of 2-methyl-5-phenyl-8-(trifluoromethyl)-2, 3, 4, 5-tetrahydro-1H-benzo[c]azepine, L-tartrate salt Step A: To a solution of the 2-bromo-5-trifluoromethyl-benzonitrile (2.6 g, 10.4 mmol) in toluene (20 mL) at -78° C. was added diisobutylaluminium hydride (21 mL, 21 mmol, 1.0 M in toluene) cooled to -78° C. by cannula. The solution was stirred at -78 to -50° C. for 2 hours. Water (5 mL) was added slowly to the reaction and the reaction was allowed to warm up to room temperature. The mixture was adjusted to pH 10 with NaOH. The product was extracted with dichloromethane, washed with saturated sodium bicarbonate and brine, dried over sodium sulfate and concentrated. The residue was purified by flash chromatography (hexanes/ether 90:10) to give the desired aldehyde (2.0 g, 76percent) as a dark solid:
Computed Properties
Molecular Weight:253.02
XLogP3:3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:251.93976
Monoisotopic Mass:251.93976
Topological Polar Surface Area:17.1
Heavy Atom Count:13
Complexity:192
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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2-Bromo-5-(trifluoromethyl)benzaldehyde
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