5,8-DICHLORO-1,4-DIHYDROXYANTHRAQUINONE, 98

The 9,10-Anthracenedione,1,4-dichloro-5,8-dihydroxy-, with the CAS registry number 2832-30-6 and EINECS registry number 220-599-4, has the sydtematic name of 1,4-dichloro-5,8-dihydroxyanthracene-9,10-dione. It belongs to the product category of Intermediates of Dyes and Pigments. And the molecular formula of the chemical is C₁₄H₆Cl₂O₄.

The characteristics of 9,10-Anthracenedione,1,4-dichloro-5,8-dihydroxy- are as followings: (1)ACD/LogP: 5.58; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.55; (4)ACD/LogD (pH 7.4): 4.66; (5)ACD/BCF (pH 5.5): 9546.49; (6)ACD/BCF (pH 7.4): 1242.01; (7)ACD/KOC (pH 5.5): 24047.3; (8)ACD/KOC (pH 7.4): 3128.58; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 52.6 Å²; (13)Index of Refraction: 1.735; (14)Molar Refractivity: 72.22 cm³; (15)Molar Volume: 179.8 cm³; (16)Polarizability: 28.63×10^-24cm³; (17)Surface Tension: 81 dyne/cm; (18)Density: 1.718 g/cm³; (19)Flash Point: 295.3 °C; (20)Enthalpy of Vaporization: 87.99 kJ/mol; (21)Boiling Point: 564.7 °C at 760 mmHg; (22)Vapour Pressure: 2.36E-13 mmHg at 25°C.

Uses of 9,10-Anthracenedione,1,4-dichloro-5,8-dihydroxy-: It can react with 2-iodo-propane to produce 1,4-dichloro-5,8-diisopropoxy-anthraquinone. This reaction will need reagent Cs₂CO₃, and the menstruum acetone and dimethylformamide. The reaction time is 18 hours with heating, and the yield is about 83%. 

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.  

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C2c1c(c(O)ccc1O)C(=O)c3c2c(Cl)ccc3Cl
(2)InChI: InChI=1/C14H6Cl2O4/c15-5-1-2-6(16)10-9(5)13(19)11-7(17)3-4-8(18)12(11)14(10)20/h1-4,17-18H
(3)InChIKey: MEHLXACDLXEVBE-UHFFFAOYAT