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2,3-Dibromo-9,10-anthracenedione

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Name

2,3-Dibromo-9,10-anthracenedione

EINECS N/A
CAS No. 633-68-1 Density 1.912 g/cm3
PSA 34.14000 LogP 3.98700
Solubility N/A Melting Point 278-279 °C(Solv: dichloromethane (75-09-2); hexane (110-54-3))
Formula C14H6Br2O2 Boiling Point 491.797 °C at 760 mmHg
Molecular Weight 366.008 Flash Point 172.19 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 633-68-1 (2,3-Dibromoanthraquinone) Hazard Symbols N/A
Synonyms

2,3-Dibromoanthraquinone

Article Data 25

2,3-Dibromo-9,10-anthracenedione 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

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