Benzeneethanol, 2,5-difluoro-
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Benzeneethanol, 2,5-difluoro-
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CAS No:
862255-56-9
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Formula:
C8H8F2O
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Chemical Name:
Benzeneethanol, 2,5-difluoro-
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Synonyms:
2-(2,5-DIFLUOROPHENYL)ETHANOL;862255-56-9;Benzeneethanol, 2,5-difluoro-;2,5-Difluorobenzeneethanol;2,5-Difluorophenethyl alcohol;SCHEMBL1561523;CTK8A3761;2-(2,5-difluoro-phenyl)-ethanol;2-(2,5-difluorophenyl)ethan-1-ol;MFCD00142840
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CAS No:
Safety Information
P264, P270, P280, P301+P312, P302+P352, P305+P351+P338, P321, P330, P332+P313, P337+P313, P362, P501
H302
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P280, P301+P312, P302+P352, P305+P351+P338, P321, P330, P332+P313, P337+P313, P362, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Benzeneethanol, 2,5-difluoro- Use and Manufacturing
To a solution of ethyl 2-(2, 5-difluorophenyl)acetate (2.64 g, 13.2 mmol) in ethanol (50 mL) was added NaBH4 (1.0 g, 26 mmol). The mixture was stirred at room temperature and gradually a clear solution was obtained. After stirring for an additional 30 mm, the reaction mixture was quenched with 1.ON aqueous HCI under ice-water bath cooling. The mixture was concentrated and the concentrate was partitioned into the EtOAc/water. The organic phase was washed with saturated NaHCO3, brine, dried over Na2SO4 and concentrated. The residue was purified by column chromatography over silica gel (hexane/EtOAc = 20/1) to afford the title compound as a colorless oil (1.6 g, 80percent). 1H NMR (400 MHz, CDCI3) 6 7.02- 6.94 (m, 2H), 6.92-6.85 (m, 1H), 3.88 (q, J = 6.4 Hz, 2H), 2.90 (t, J = 6.4 Hz, 2H).
Computed Properties
Molecular Weight:158.14
XLogP3:1.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:158.05432120
Monoisotopic Mass:158.05432120
Topological Polar Surface Area:20.2
Heavy Atom Count:11
Complexity:119
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Recommended Suppliers of Benzeneethanol, 2,5-difluoro-
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