4-Methyl-3-nitrophenol
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4-Methyl-3-nitrophenol
structure -
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CAS No:
2042-14-0
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Formula:
C7H7NO3
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Chemical Name:
4-Methyl-3-nitrophenol
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Synonyms:
Phenol,4-methyl-3-nitro-;p-Cresol,3-nitro-;4-Methyl-3-nitrophenol;3-Nitro-4-methylphenol;3-Nitro-p-cresol;4-Hydroxy-2-nitrotoluene;4-Methyl-5-nitrophenol;NSC 41205
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CAS No:
Characteristics
66
2.1
Powder
1.3±0.1 g/cm3
79 °C
276°C at 760 mmHg
125.2±12.5 °C
1.597
Slightly soluble in water.
Store in a cool, dry place. Store in a tightly closed container.
0.00294mmHg at 25°C
Safety Information
III
6.1
2446
3
36/37/38
37/39-26-36
Xi
Irritant
Stable at room temperature in closed containers under normal storage and handling conditions.
P261-P305 + P351 + P338
H315-H319-H335
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P273, 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 136 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
4-Methyl-3-nitrophenol Use and Manufacturing
92 (200mg, 1.31 mmol) was dissolved in a 3:1 mixture of H2S04-H20. The resulting mixture was heated to 100°C for 30 minutes. After that time, rxn was cooled to 0°C and a solution of NaNO2 was added dropwise. After 1 hr the mixture washeated to reflux. After completion of the reaction the mixture was extracted with EtOAc several times and the combined organic phases were dried (Na2SO4) and concentrated.The resulting mixture was purified by flash chromatography (Purification eluent: PE-AcOEt 9:1). Yellow solid, Yield 70percent. 1H NMR (400 MHz, CDC13) ö 7.48 (s, 1H), 7.17 (d, J= 8.4 Hz, 1H), 7.01 (dd, J 8.4, 2.4 Hz, 1H), 5.84 (s, 1H), 2.48 (s, 3H)ppm.
Computed Properties
Molecular Weight:153.14
XLogP3:2.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Exact Mass:153.042593085
Monoisotopic Mass:153.042593085
Topological Polar Surface Area:66
Heavy Atom Count:11
Complexity:154
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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