2,2-Dihydroxy-1-(4-nitrophenyl)ethanone
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2,2-Dihydroxy-1-(4-nitrophenyl)ethanone
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CAS No:
4996-22-9
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Formula:
C8H7NO5
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Chemical Name:
2,2-Dihydroxy-1-(4-nitrophenyl)ethanone
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Synonyms:
Ethanone,2,2-dihydroxy-1-(4-nitrophenyl)-;Acetophenone,2,2-dihydroxy-4′-nitro-;2,2-Dihydroxy-1-(4-nitrophenyl)ethanone;NSC 131639;(4-Nitrophenyl)glyoxal monohydrate;(4-Nitrophenyl)glyoxal hydrate
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CAS No:
Safety Information
20/21/22-36/37/38
26-36/37/39
Xi
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501
H315
2,2-Dihydroxy-1-(4-nitrophenyl)ethanone Use and Manufacturing
General procedure: A mixture of a substrate (0.6 mmol), vinyl bromide 2a (0.06 mmol) in DMSO (1.1 mL) was heated in an open flask (the temperature of an oil bath and the reaction time are specified in refPreviewPlaceHolderTable 2). After the completion of the reaction (checked by TLC), the reaction mixture was diluted with water (11 mL), saturated with NaCl and extracted with ethyl acetate (5.x.4 mL). Only in the case of the synthesis of arylglyoxals the organic layer was additionally washed with Na
Computed Properties
Molecular Weight:197.14
XLogP3:0.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:197.03242232
Monoisotopic Mass:197.03242232
Topological Polar Surface Area:103
Heavy Atom Count:14
Complexity:226
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
2,2-Dihydroxy-1-(4-nitrophenyl)ethanone
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