5-Methoxy-2-nitrophenol
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5-Methoxy-2-nitrophenol
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CAS No:
704-14-3
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Formula:
C7H7NO4
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Chemical Name:
5-Methoxy-2-nitrophenol
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Synonyms:
Phenol,5-methoxy-2-nitro-;5-Methoxy-2-nitrophenol;3-Methoxy-6-nitrophenol;2-Nitro-5-methoxyphenol;2-Hydroxy-4-methoxynitrobenzene;NSC 1167
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CAS No:
Characteristics
75.3
2
Yellow Powder or Crystals
1.4±0.1 g/cm3
95 °C
298.4°C (rough estimate)
133.7±21.8 °C
1.583
Safety Information
IRRITANT
NONH for all modes of transport
3
37/38-41-36/37/38
26-36-37/39
Xi
P261-P280-P305 + P351 + P338
H315-H318-H335
|Danger|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
5-Methoxy-2-nitrophenol Use and Manufacturing
A solution of 2, 4-dimethoxynitrobenzene (2.0 g, 10.9 mmol) in 360 mL of CH2Cl2 was cooled to 0 °C and 2.91 g of AlCl3 (21.3 mmol) were portionwise added. The mixture was heated to reflux for 5.5 h (development of a bright red color). After cooling to RT, 10percent aqueous HCl was added dropwise and the mixture was extracted three times with CH2Cl2. The combined organic layers were dried with MgSO4. After solvent removal under reduced pressure the crude product was purified bychromatography (c-hex/EtOAc = 10:1) to afford 5-methoxy-2-nitrophenol (11) as ayellow solid (1.64 g, 9.69 mmol, 89percent).Benzoxazole Formation Procedures:To a solution of3-methoxyphenol (6.0 g, 48.33 mmol) in AcOH (70 ml) was added HNOPart A General procedure: To a solid mixture of phenol (1–3 equiv) and Bi(NO
Computed Properties
Molecular Weight:169.13
XLogP3:2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:169.03750770
Monoisotopic Mass:169.03750770
Topological Polar Surface Area:75.3
Heavy Atom Count:12
Complexity:167
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
