9,10-DINITROANTHRACENE

The Anthracene, 9, 10-dinitro-, with the CAS registry number 33685-60-8, is also known as 9, 10-Dinitro-anthracene. This chemical's molecular formula is C₁₄H₈N₂O₄ and molecular weight is 268.22. What's more, its IUPAC name is 9, 10-Dinitroanthracene.

Physical properties about Anthracene, 9, 10-dinitro- are: (1)ACD/LogP: 3.81; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.81; (4)ACD/LogD (pH 7.4): 3.81; (5)ACD/BCF (pH 5.5): 463.59; (6)ACD/BCF (pH 7.4): 463.59; (7)ACD/KOC (pH 5.5): 2818.51; (8)ACD/KOC (pH 7.4): 2818.51; (9)#H bond acceptors: 6; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 91.64 Å²; (13)Index of Refraction: 1.765; (14)Molar Refractivity: 75.02 cm³; (15)Molar Volume: 181.3 cm³; (16)Surface Tension: 70.7 dyne/cm; (17)Density: 1.479 g/cm³; (18)Flash Point: 234.4 °C; (19)Enthalpy of Vaporization: 69.85 kJ/mol; (20)Boiling Point: 464.8 °C at 760 mmHg; (21)Vapour Pressure: 2.25E-08 mmHg at 25 °C.

Preparation of Anthracene, 9, 10-dinitro-: this chemical is prepared by Anthracene by heating. The reaction needs reagent Pyridinium nitrate and solvent Dimethylformamide. The reaction time is 20 minutes with reaction temperature of 130-140 °C. The yield is about 35 %.

Uses of : it is used to produce other chemicals. For example, it is used to produce 9, 10-Dinitro-11-carbethoxy-9, 10-ethanoanthracene. The reaction needs reagent BHT. The reaction time is 24 hours with reaction temperature of 170 °C. The yield is about 61 %.

You can still convert the following datas into molecular structure:
(1) SMILES: [O-][N+](=O)c2c1c(cccc1)c(c3c2cccc3)[N+]([O-])=O
(2) InChI: InChI=1/C14H8N2O4/c17-15(18)13-9-5-1-2-6-10(9)14(16(19)20)12-8-4-3-7-11(12)13/h1-8H
(3) InChIKey: XYPMAZCBFKBIFK-UHFFFAOYAK