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602331-25-9

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Basic Information
CAS No.: 602331-25-9
Name: 1,10-Phenanthroline-5,6-dione,3,8-dibromo
Molecular Structure:
Molecular Structure of 602331-25-9 (1,10-Phenanthroline-5,6-dione,3,8-dibromo)
Formula: C12H4Br2N2O2
Molecular Weight: 367.984
Synonyms: 3,8-Dibromo-[1,10]phenanthroline-5,6-dione;
Density: 2.069 g/cm3
Melting Point: >300 °C(Solv: methanol (67-56-1))
Boiling Point: 538.186 °C at 760 mmHg
Flash Point: 279.285 °C
PSA: 59.92000
LogP: 3.04760
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Specification

The 1,10-Phenanthroline-5,6-dione,3,8-dibromo- is an organic compound with the formula C12H4Br2N2O2. The systematic name of this chemical is 3,8-Dibromo-1,10-phenanthroline-5,6-dione. With the CAS registry number 602331-25-9, it is also named as 3,8-Dibromo-[1,10]phenanthroline-5,6-dione. The category of the product is Electronic Chemicals. Besides, its molecular weight is 367.98.

The physical properties of 1,10-Phenanthroline-5,6-dione,3,8-dibromo- are: (1)ACD/LogP: 2.19; (2)ACD/LogD (pH 5.5): 2; (3)ACD/LogD (pH 7.4): 2; (4)ACD/BCF (pH 5.5): 27; (5)ACD/BCF (pH 7.4): 27; (6)ACD/KOC (pH 5.5): 373; (7)ACD/KOC (pH 7.4): 373; (8)#H bond acceptors: 4; (9)Polar Surface Area: 59.92 Å2; (10)Index of Refraction: 1.72; (11)Molar Refractivity: 70.231 cm3; (12)Molar Volume: 177.883 cm3; (13)Polarizability: 27.842×10-24 cm3; (14)Surface Tension: 77.656 dyne/cm; (15)Density: 2.069 g/cm3; (16)Flash Point: 279.285 °C; (17)Enthalpy of Vaporization: 81.529 kJ/mol; (18)Boiling Point: 538.186 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1cnc2c3ncc(Br)cc3C(=O)C(=O)c2c1
(2)Std. InChI: InChI=1S/C12H4Br2N2O2/c13-5-1-7-9(15-3-5)10-8(12(18)11(7)17)2-6(14)4-16-10/h1-4H
(3)Std. InChIKey: IFZAYEPOLKDKNV-UHFFFAOYSA-N