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9,10-Anthracenedione,1,4-dichloro-5,8-dihydroxy-

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Name

9,10-Anthracenedione,1,4-dichloro-5,8-dihydroxy-

EINECS 220-599-4
CAS No. 2832-30-6 Density 1.718 g/cm3
PSA 74.60000 LogP 3.18000
Solubility 11.8μg/L at 20℃ Melting Point 275-278 °C(lit.)
Formula C14H6Cl2O4 Boiling Point 564.7 °C at 760 mmHg
Molecular Weight 309.105 Flash Point 295.3 °C
Transport Information N/A Appearance N/A
Safety 26-37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 2832-30-6 (5,8-DICHLORO-1,4-DIHYDROXYANTHRAQUINONE, 98) Hazard Symbols IrritantXi
Synonyms

Anthraquinone,1,4-dichloro-5,8-dihydroxy- (6CI,7CI,8CI);1,4-Dichloro-5,8-dihydroxy-9,10-anthracenedione;1,4-Dichloro-5,8-dihydroxy-9,10-anthraquinone;1,4-Dichloro-5,8-dihydroxyanthraquinone;1,4-Dihydroxy-5,8-dichloroanthraquinone;5,8-Dichloro-1,4-dihydroxy-9,10-anthraquinone;5,8-Dichloro-1,4-dihydroxyanthraquinone;5,8-Dichloroquinizarin;

Article Data 7

9,10-Anthracenedione,1,4-dichloro-5,8-dihydroxy- Specification

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

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