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CAS No.: | 81-65-2 |
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Name: | 1-HYDROXY-4-NITROANTHRAQUINONE |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C14H7NO5 |
Molecular Weight: | 269.21 |
Synonyms: | Anthraquinone,1-hydroxy-4-nitro- (6CI,8CI);1-Hydroxy-4-nitro-9,10-anthraquinone;1-Hydroxy-4-nitroanthraquinone;NSC 37111; |
Density: | 1.589±0.06 g/cm3(Predicted) |
Melting Point: | 273 °C |
Boiling Point: | 524.3 °C at 760 mmHg |
Flash Point: | 225.9 °C |
Hazard Symbols: | T+,Xn |
Risk Codes: | R26; R34; R29; R36/37/38; R20/21/22 |
PSA: | 100.19000 |
LogP: | 2.59900 |
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The 9,10-Anthracenedione,1-hydroxy-4-nitro-, with the CAS registry number 81-65-2, is also known as Anthraquinone, 1-hydroxy-4-nitro-. It belongs to the product categories of Anthraquinones; Hydroxyanthraquinones. This chemical's molecular formula is C14H7NO5 and molecular weight is 269.21. What's more, both its IUPAC name and systematic name are the same which is called 1-Hydroxy-4-nitroanthracene-9,10-dione.
Physical properties about 9,10-Anthracenedione,1-hydroxy-4-nitro- are: (1)ACD/LogP: 4.16; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 6; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 89.19 Å2; (7)Index of Refraction: 1.723; (8)Molar Refractivity: 67.09 cm3; (9)Molar Volume: 169.3 cm3; (10)Flash Point: 225.9 °C; (11)Enthalpy of Vaporization: 82.82 kJ/mol; (12)Boiling Point: 524.3 °C at 760 mmHg; (13)Vapour Pressure: 1.31E-11 mmHg at 25 °C; (14)Melting Point: 273 °C.
Preparation of 9,10-Anthracenedione,1-hydroxy-4-nitro-: this chemical can be prepared by 4-Nitro-phenol with 1-Chloro-4-nitro-anthraquinone. This reaction needs reagent K2CO3 and solvent Dimethylformamide at temperature of 60 °C. The reaction time is 3 hours. The yield is 65 %.
You can still convert the following datas into molecular structure:
(1) SMILES: [O-][N+](=O)c3ccc(O)c2C(=O)c1ccccc1C(=O)c23
(2) InChI: InChI=1/C14H7NO5/c16-10-6-5-9(15(19)20)11-12(10)14(18)8-4-2-1-3-7(8)13(11)17/h1-6,16H
(3) InChIKey: XXUOKOYLVBHBCG-UHFFFAOYAG