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| CAS No.: | 633-68-1 |
|---|---|
| Name: | 2,3-Dibromoanthraquinone |
| Article Data: | 25 |
| Molecular Structure: | |
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| Formula: | C14H6Br2O2 |
| Molecular Weight: | 366.008 |
| Synonyms: | 2,3-Dibromoanthraquinone |
| Density: | 1.912 g/cm3 |
| Melting Point: | 278-279 °C(Solv: dichloromethane (75-09-2); hexane (110-54-3)) |
| Boiling Point: | 491.797 °C at 760 mmHg |
| Flash Point: | 172.19 °C |
| PSA: | 34.14000 |
| LogP: | 3.98700 |
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- Total:34 Page 1 of 1 1
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Specification
The 2,3-Dibromo-9,10-anthracenedione, with CAS registry number 633-68-1, has the systematic name of 2,3-dibromoanthracene-9,10-dione. Besides this, it is also called 2,3-Dibromoanthraquinone. Its molecular weight is 366. And the chemical formula of this chemical is C14H6Br2O2.
Physical properties of 2,3-Dibromo-9,10-anthracenedione: (1)ACD/LogP: 3.86; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 5; (4)ACD/LogD (pH 7.4): 5; (5)ACD/BCF (pH 5.5): 2593; (6)ACD/BCF (pH 7.4): 2593; (7)ACD/KOC (pH 5.5): 9664; (8)ACD/KOC (pH 7.4): 9664; (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: 1.701; (14)Molar Refractivity: 74.049 cm3; (15)Molar Volume: 191.435 cm3; (16)Polarizability: 29.355×10-24cm3; (17)Surface Tension: 61.895 dyne/cm; (18)Density: 1.912 g/cm3; (19)Flash Point: 172.19 °C; (20)Enthalpy of Vaporization: 75.859 kJ/mol; (21)Boiling Point: 491.797 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Brc2cc3C(=O)c1ccccc1C(=O)c3cc2Br
(2)InChI: InChI=1/C14H6Br2O2/c15-11-5-9-10(6-12(11)16)14(18)8-4-2-1-3-7(8)13(9)17/h1-6H
(3)InChIKey: RECQBTCMRZKCQX-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C14H6Br2O2/c15-11-5-9-10(6-12(11)16)14(18)8-4-2-1-3-7(8)13(9)17/h1-6H
(5)Std. InChIKey: RECQBTCMRZKCQX-UHFFFAOYSA-N