2'-HYDROXY-5'-NITROACETOPHENONE

The Ethanone,1-(2-hydroxy-5-nitrophenyl)-, with CAS registry number 1450-76-6, belongs to the following product categories: (1)Benzene series; (2)Alcohols and Derivatives; (3)Carbonyl Compounds; (4)Aromatic Acetophenones & Derivatives (substituted); (5)C7 to C8; (6)Carbonyl Compounds; (7)Ketones. It has the systematic name of 1-(2-hydroxy-5-nitrophenyl)ethanone. And the chemical formula of this chemical is C₈H₇NO₄.

Physical properties of Ethanone,1-(2-hydroxy-5-nitrophenyl)-: (1)ACD/LogP: 2.15; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 5; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 72.12 Å²; (7)Index of Refraction: 1.596; (8)Molar Refractivity: 44.7 cm³; (9)Molar Volume: 131.2 cm³; (10)Polarizability: 17.72×10^-24cm³; (11)Surface Tension: 58.5 dyne/cm; (12)Enthalpy of Vaporization: 54.55 kJ/mol; (13)Vapour Pressure: 0.00163 mmHg at 25°C.

Preparation: this chemical can be prepared by acetic acid 4-nitro-phenyl ester. This reaction will need reagent Fries rearrangement and solvent aluminium chloride. The reaction time is 2 hour(s) with reaction temperature of 140 ℃. The yield is about 10%.

Uses of Ethanone,1-(2-hydroxy-5-nitrophenyl)-: it can be used to produce methyl 2-acetyl-5-nitrophenoxyacetate. This reaction will need reagent K₂CO₃ and solvent acetone. The reaction time is 3.5 hour(s) with reaction temperature of 70 ℃. The yield is about 79%.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1cc(ccc1O)[N+]([O-])=O)C
(2)InChI: InChI=1/C8H7NO4/c1-5(10)7-4-6(9(12)13)2-3-8(7)11/h2-4,11H,1H3
(3)InChIKey: LNCBPUWMGYOISS-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C8H7NO4/c1-5(10)7-4-6(9(12)13)2-3-8(7)11/h2-4,11H,1H3
(5)Std. InChIKey: LNCBPUWMGYOISS-UHFFFAOYSA-N