Name: 1-HYDROXY-4-NITROANTHRAQUINONE
SKU: 81-65-2

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Basic Information

Molecular Structure:
CAS No.:	81-65-2
Name:	1-HYDROXY-4-NITROANTHRAQUINONE

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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- China (Mainland)(21)
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Specification

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 %.

9,10-Anthracenedione,1-hydroxy-4-nitro- can be prepared by 4-Nitro-phenol with 1-Chloro-4-nitro-anthraquinone.

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

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Specification