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602331-25-9

602331-25-9 Structure

602331-25-9 Structure
IdentificationBack Directory
[Name]

1,10-Phenanthroline-5,6-dione,3,8-dibromo
[CAS]

602331-25-9
[Synonyms]

1,10-Phenanthroline-5,6-dione,3,8-dibromo
3,8-dibromo-1,10-Phenanthroline-5,6-dione
[Molecular Formula]

C12H4Br2N2O2
[MDL Number]

MFCD09953785
[MOL File]

602331-25-9.mol
[Molecular Weight]

367.98
Chemical PropertiesBack Directory
[Melting point ]

>300 °C(Solv: methanol (67-56-1))
[Boiling point ]

538.2±50.0 °C(Predicted)
[density ]

2.068±0.06 g/cm3(Predicted)
[storage temp. ]

Inert atmosphere,2-8°C
[pka]

-2.75±0.20(Predicted)
[Appearance]

Light yellow to yellow Solid
[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
[InChIKey]

IFZAYEPOLKDKNV-UHFFFAOYSA-N
[SMILES]

N1C2=C(C(=O)C(=O)C3=C2N=CC(Br)=C3)C=C(Br)C=1
Spectrum DetailBack Directory
[Spectrum Detail]

1,10-Phenanthroline-5,6-dione,3,8-dibromo(602331-25-9)1HNMR
Hazard InformationBack Directory
[Synthesis]

3,8-Dibromo-1,10-phenanthroline-5,6-dione was prepared as follows: 1,10-phenanthroline· monohydrate (22 g), disulfur dichloride (49 g), pyridine (30 mL), and 1-chlorobutane (300 mL) were added dropwise with stirring while adding bromine (57 g) t

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