2-chloro-1,4-dihydroxyanthraquinone

The 9,10-Anthracenedione,2-chloro-1,4-dihydroxy-, with the CAS registry number 81-53-8, is also known as Anthraquinone, 2-chloro-1,4-dihydroxy-. Its EINECS registry number is 201-358-2. This chemical's molecular formula is C₁₄H₇ClO₄ and molecular weight is 274.65598. What's more, both its IUPAC name and systematic name are the same which is called 2-Chloro-1,4-dihydroxyanthracene-9,10-dione.

Physical properties about 9,10-Anthracenedione,2-chloro-1,4-dihydroxy- are: (1)ACD/LogP: 5.47; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.4; (4)ACD/LogD (pH 7.4): 4.17; (5)ACD/BCF (pH 5.5): 7134.09; (6)ACD/BCF (pH 7.4): 425.17; (7)ACD/KOC (pH 5.5): 19006.5; (8)ACD/KOC (pH 7.4): 1132.72; (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: 1.734; (14)Molar Refractivity: 67.32 cm³; (15) Polarizability: 26.69×10^-24 cm³ ; (16)Surface Tension: 80.2 dyne/cm; (17)Density: 1.636 g/cm³; (18)Flash Point: 249.7 °C; (19)Enthalpy of Vaporization: 78.42 kJ/mol; (20)Boiling Point: 489.2 °C at 760 mmHg; (21)Vapour Pressure: 3.39E-10 mmHg at 25 °C.

Preparation of 9,10-Anthracenedione,2-chloro-1,4-dihydroxy-: this chemical can be prepared by Anthracene-1,4,9,10-tetraone. This reaction needs reagent conc. Hydrochloric acid and solvent Acetic acid at ambient temperature. The reaction time is 1 hour. The yield is 83 %.

Uses of 9,10-Anthracenedione,2-chloro-1,4-dihydroxy-: it is used to produce other chemicals. For example, it is used to produce 2-Chloro-1,4-dihydroxy-9,10-anthraquinone-10-imine. The reaction occurs with reagent aq. NH₃ and solvent Methanol at ambient temperature for 18 hours. The yield is 73 %.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C2c1ccccc1C(=O)c3c2c(O)cc(Cl)c3O
(2) InChI: InChI=1/C14H7ClO4/c15-8-5-9(16)10-11(14(8)19)13(18)7-4-2-1-3-6(7)12(10)17/h1-5,16,19H
(3) InChIKey: UJCPMVFRZRPROL-UHFFFAOYAH