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CAS No.: | 1450-76-6 |
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Name: | 2'-HYDROXY-5'-NITROACETOPHENONE |
Article Data: | 27 |
Molecular Structure: | |
Formula: | C8H7NO4 |
Molecular Weight: | 181.148 |
Synonyms: | Acetophenone,2'-hydroxy-5'-nitro- (7CI,8CI);1-(2-Hydroxy-5-nitrophenyl)ethanone;2-Acetyl-4-nitrophenol;5'-Nitro-2'-hydroxyacetophenone;NSC 64461; |
Density: | 1.38 g/cm3 |
Melting Point: | 100-104 °C(lit.) |
Boiling Point: | 285.5 °C at 760 mmHg |
Flash Point: | 126 °C |
PSA: | 83.12000 |
LogP: | 2.02620 |
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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