5,12-NAPHTHACENEQUINONE

The 5,12-Naphthacenequinone, with the CAS registry number 1090-13-7, is also known as Naphthacene-6,11-quinone. It belongs to the product categories of C15 to C38; Carbonyl Compounds; Ketones. Its EINECS registry number is 214-127-6. This chemical's molecular formula is C₁₈H₁₀O₂ and molecular weight is 258.27. Its IUPAC name and systematic name are the same which is called tetracene-5,12-dione. This chemical is khaki powder. When you are using this chemical, please be cautious about it, you should not breathe its dust and avoid contacting your with skin and eyes.

Physical properties of 5,12-Naphthacenequinone: (1)ACD/LogP: 4.62; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.61; (4)ACD/LogD (pH 7.4): 4.61; (5)ACD/BCF (pH 5.5): 1894.04; (6)ACD/BCF (pH 7.4): 1894.04; (7)ACD/KOC (pH 5.5): 7718.84; (8)ACD/KOC (pH 7.4): 7718.84; (9)#H bond acceptors: 2; (10)Index of Refraction: 1.722; (11)Molar Refractivity: 76.51 cm³; (12)Molar Volume: 193.1 cm³; (13)Surface Tension: 60.9 dyne/cm; (14)Density: 1.336 g/cm³; (15)Melting Point: 282-286 °C (dec.)(lit.); (16)Flash Point: 175.5 °C; (17)Enthalpy of Vaporization: 73.55 kJ/mol; (18)Boiling Point: 472.5 °C at 760 mmHg; (19)Vapour Pressure: 4.24E-09 mmHg at 25°C.

Preparation: this chemical can be prepared by naphthacene. This reaction will need reagent xylene, air with other condition of UV-licht oder gluehlampenlicht.

Uses of 5,12-Naphthacenequinone: it can be used to produce 5,12-dihydro-naphthacene at temperature of 140 °C. This reaction will need reagent phenylphosphine with reaction time of 3 days. The yield is about 46%.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C2C=C3C(=CC2=C1)C(=O)C4=CC=CC=C4C3=O
(2)InChI: InChI=1S/C18H10O2/c19-17-13-7-3-4-8-14(13)18(20)16-10-12-6-2-1-5-11(12)9-15(16)17/h1-10H
(3)InChIKey: LZPBKINTWROMEA-UHFFFAOYSA-N