4-BROMO-2,6-DIFLUOROBENZYL ALCOHOL
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4-BROMO-2,6-DIFLUOROBENZYL ALCOHOL
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CAS No:
162744-59-4
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Formula:
C7H5BrF2O
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Chemical Name:
4-BROMO-2,6-DIFLUOROBENZYL ALCOHOL
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Synonyms:
2,6-DIFLUORO-4-BROMOBENZYLALCOHOL;4-BROMO-2,6-DIFLUOROBENZYL ALCOHOL;RARECHEM AL BD 1306;4-bromo-2,6-difluorobenzyl;4-bromo-2,6-difluoro-benzenemethanol
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CAS No:
Safety Information
NONH for all modes of transport
3
36/37/38
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 196 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
4-BROMO-2,6-DIFLUOROBENZYL ALCOHOL Use and Manufacturing
To a solution of 4-bromo-2, 6-difluorobenzoic acid (5 g, 21.10 mmol) in THF (100 mL) was added BHTo a solution of 4-bromo-2, 6-difluorobenzoic acid (5 g, 21.10 mmol) in THF (100 mL) was added BHTo a stirred solution of 4-bromo-2, 6-difluorobenzaldehyde (4.4 g, 19.9 mmol) in a 4: 1 mixture of CHStep 1: Into a 1-L round-bottom flask, was placed a solution of 4-bromo-2, 6- difluorobenzaldehyde (43.0 g, 195.45 mmol, 1.00 equiv) in methanol (500 mL) with stirring at 0 °C. Sodium borohydride (NaBH4 7.4 g, 195.45 mmol, 1.00 equiv) was then added in portions and the resulting mixture was stirred for 10 mm at 0 °C and then concentrated undervacuum. The residue was diluted with EtOAc, washed with brine, dried over anhydrous sodium sulfate and concentrated under vacuum to afford 43.0 g of(4-bromo-2, 6- difluorophenyl)methanol as a white solid.
Computed Properties
Molecular Weight:223.01
XLogP3:1.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:221.94918
Monoisotopic Mass:221.94918
Topological Polar Surface Area:20.2
Heavy Atom Count:11
Complexity:122
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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