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3,6-dibromo-phenanthrene-9,10-dione (53348-05-3)

Identification
Name:3,6-dibromo-phenanthrene-9,10-dione
Synonyms:3,6-dibromophenanthrene-9,10-dione;
CAS:53348-05-3
Molecular Formula: C14H6Br2O2
Molecular Weight: 366.0042
InChI: InChI=1/C14H6Br2O2/c15-7-1-3-9-11(5-7)12-6-8(16)2-4-10(12)14(18)13(9)17/h1-6H
Molecular Structure: (C14H6Br2O2) 3,6-dibromophenanthrene-9,10-dione;
Properties
Flash Point: 177.5oC
Boiling Point: 501 oC at 760 mmHg
Density:1.911 g/cm3
Refractive index:1.7
Specification:

The 3,6-Dibromo-9,10-phenanthrenequinone is an organic compound with the formula C14H6Br2O2. With the CAS registry number 53348-05-3, the IUPAC name of this chemical is 3,6-dibromophenanthrene-9,10-dione.

Physical properties about 3,6-Dibromo-9,10-phenanthrenequinone are: (1)ACD/LogP: 4.67; (2)#H bond acceptors: 2 ; (3)Polar Surface Area: 34.14 Å2; (4)Index of Refraction: 1.7; (5)Molar Refractivity: 74.04 cm3; (6)Molar Volume: 191.4 cm3; (7)Polarizability: 29.35×10-24cm3; (8)Surface Tension: 61.8 dyne/cm; (9)Density: 1.911 g/cm3; (10)Flash Point: 177.5 °C; (11)Enthalpy of Vaporization: 76.97 kJ/mol; (12)Boiling Point: 501 °C at 760 mmHg; (13)Vapour Pressure: 3.62E-10 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc3cc2c1c(ccc(Br)c1)C(=O)C(=O)c2cc3
(2)InChI: InChI=1/C14H6Br2O2/c15-7-1-3-9-11(5-7)12-6-8(16)2-4-10(12)14(18)13(9)17/h1-6H
(3)InChIKey: WPEJBJRFPBMVGJ-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C14H6Br2O2/c15-7-1-3-9-11(5-7)12-6-8(16)2-4-10(12)14(18)13(9)17/h1-6H
(5)Std. InChIKey: WPEJBJRFPBMVGJ-UHFFFAOYSA-N

Flash Point: 177.5oC
Safety Data
 

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