3,5-Dimethyl-4-nitrophenol
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3,5-Dimethyl-4-nitrophenol
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CAS No:
5344-97-8
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Formula:
C8H9NO3
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Chemical Name:
3,5-Dimethyl-4-nitrophenol
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Synonyms:
3,5-DIMETHYL-4-NITROPHENOL;3,5-Xylenol, 4-nitro-;3,5-dimethyl-4-nitro-phenol;NSC2985;NSC 2985;3,5-Xylenol, 4-nitro-,;SCHEMBL487041;CTK1H2830;DTXSID50201606;KS-00000RO3
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CAS No:
Characteristics
66
2.1
1.3±0.1 g/cm3
107-108 °C(Solv: hydrochloric acid (7647-01-0))
311.8°C at 760 mmHg
139.8±13.0 °C
1.585
3,5-Dimethyl-4-nitrophenol Use and Manufacturing
3, 5-Dimethylphenol (50 g) was dissolved in 200 ml OF MES03H and cooled to 0°C. 1 eq (34.8 g) of NaNO3 was added portion-wise at 0°C. After 18 hours, the reaction mixture was poured into 4 litre of ice-H2O under vigorous stirring. The water was decanted. The residue was dissolved in 400 ml of EtOAc. The EtOAc extract was washed with saturated aqueous NaHC03 (2X200 ml), dried using brine and Na2SO4, and purified using a mixture of EtOAc and n-heptane (4: 1) on silicagel. Yield: 7.86 g OF INTERMEDIATE 9 (11percent).
Computed Properties
Molecular Weight:167.16
XLogP3:2.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Exact Mass:167.058243149
Monoisotopic Mass:167.058243149
Topological Polar Surface Area:66
Heavy Atom Count:12
Complexity:166
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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