Ethanone,1-(4-hydroxy-3-nitrophenyl)- (6322-56-1)

The IUPAC name of 4-Hydroxy-3-nitroacetophenone is 1-(4-hydroxy-3-nitrophenyl)ethanone. With the CAS registry number 6322-56-1, it is also named as Ethanone, 1-(4-hydroxy-3-nitrophenyl)-; 4-Acetyl-2-nitro-phenol. The product's categories are aromatic acetophenones & derivatives (substituted), carbonyl compounds and ketones.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 1.75; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.26; (4)ACD/LogD (pH 7.4): -0.43; (5)ACD/BCF (pH 5.5): 4.06; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 68.96; (8)ACD/KOC (pH 7.4): 1.42; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Index of Refraction: 1.596; (12)Molar Refractivity: 44.7 cm3; (13)Molar Volume: 131.2 cm3; (14)Polarizability: 17.72 10-24cm3; (15)Surface Tension: 58.5 dyne/cm; (16)Enthalpy of Vaporization: 54.25 kJ/mol; (17)Vapour Pressure: 0.00193 mmHg at 25°C; (18)Rotatable Bond Count: 1; (19)Tautomer Count: 11; (20)Exact Mass: 181.037508; (21)MonoIsotopic Mass: 181.037508; (22)Topological Polar Surface Area: 83.1; (23)Heavy Atom Count: 13.

Preparation of 4-Hydroxy-3-nitroacetophenone: It can be obtained by 1-(4-hydroxy-phenyl)-ethanone. This reaction needs reagent NaHSO₄*H₂O, NaNO₂ and wet SiO₂, and solvent CH₂Cl₂ at temperature of 20 °C. The reaction time is 180 min. The yield is 82%.

Uses of 4-Hydroxy-3-nitroacetophenone: It can react with thiophene-2-carbaldehyde to get 4-Hydroxy-3-nitro-w-thiophenylideneacetophenone. This reaction needs reagent 1 M aq. NaOH and solvent acetonitrile at temperature of 90 °C. The reaction time is 1 hours. The yield is 72.5 %.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing and suitable gloves and eye/face protection.  

People can use the following data to convert to the molecule structure. 
1. SMILES:O=[N+]([O-])c1cc(ccc1O)C(=O)C;
2. InChI: InChI=1/C8H7NO4/c1-5(10)6-2-3-8(11)7(4-6)9(12)13/h2-4,11H,1H3.