2,3-DIMETHYLANTHRAQUINONE

The 9,10-Anthracenedione,2,3-dimethyl-, with the CAS registry number 6531-35-7, is also known as 2,3-Dimethylanthraquinone. This chemical's molecular formula is C₁₆H₁₂O₂ and molecular weight is 236.26. What's more, its systematic name is 2,3-Dimethylanthracene-9,10-dione and it belongs to the product categories of Anthraquinones, Hydroquinones and Quinones; Anthraquinones; Chloroanthraquine, etc.; Highly Purified Reagents; Other Categories; Refined Products by Sublimation; C₁₅ to C₃₈; Carbonyl Compounds; Ketones.

Physical properties of 9,10-Anthracenedione,2,3-dimethyl- are: (1)ACD/LogP: 4.30; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.3; (4)ACD/LogD (pH 7.4): 4.3; (5)ACD/BCF (pH 5.5): 1099.96; (6)ACD/BCF (pH 7.4): 1099.96; (7)ACD/KOC (pH 5.5): 5231.38; (8)ACD/KOC (pH 7.4): 5231.38; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 34.14 Å²; (13)Index of Refraction: 1.631; (14)Molar Refractivity: 68.31 cm³; (15)Molar Volume: 191.6 cm³; (16)Polarizability: 27.08×10^-24 cm³; (17)Surface Tension: 50.7 dyne/cm; (18)Density: 1.233 g/cm³; (19)Flash Point: 157.4 °C; (20)Enthalpy of Vaporization: 67.5 kJ/mol; (21)Boiling Point: 421 °C at 760 mmHg; (22)Vapour Pressure: 2.69E-07 mmHg at 25°C.

Preparation: this chemical can be prepared by 2,3-bis-(2-nitro-propyl)-[1,4]naphthoquinone at the room temperature under irradiation. This reaction will need reagents tetrabutylammonium hydroxide, nitroethane and solvent toluene or H₂O with the reaction time of 24 hours. The yield is about 65%.

Uses of 9,10-Anthracenedione,2,3-dimethyl-: it can be used to produce 2,3-bis-bromomethyl-anthraquinone by heating. It will need reagent bromine and solvent CCl₄ with the reaction time of 2 hours. The yield is about 65%.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=C(C=C2C(=C1)C(=O)C3=CC=CC=C3C2=O)C
(2)InChI: InChI=1S/C16H12O2/c1-9-7-13-14(8-10(9)2)16(18)12-6-4-3-5-11(12)15(13)17/h3-8H,1-2H3
(3)InChIKey: KIJPZYXCIHZVGP-UHFFFAOYSA-N