Synonyms
66127-00-2; CTK1I0855; 3,5,6,8-tetrabromo-1,10-phenanthroline; BAPJVWLAFSQLNX-UHFFFAOYSA-N; 1,10-Phenanthroline, 3,5,6,8-tetrabromo-; ACMC-1B8M0; SCHEMBL7059861;
IUPAC Name
3,5,6,8-tetrabromo-1,10-phenanthroline
Molecular Weight
495.79
Molecular Formula
C12H4Br4N2
Canonical SMILES
C1=C(C=NC2=C1C(=C(C3=C2N=CC(=C3)Br)Br)Br)Br
InChI
BAPJVWLAFSQLNX-UHFFFAOYSA-N
InChI Key
InChI=1S/C12H4Br4N2/c13-5-1-7-9(15)10(16)8-2-6(14)4-18-12(8)11(7)17-3-5/h1-4H
Boiling Point
523.2±45.0 °C(Predicted)
Melting Point
356°C-lit.
Purity
98%
Appearance
White powder
Complexity
287
Covalently-Bonded Unit Count
1
Exact Mass
495.70670
H-Bond Acceptor
2
Heavy Atom Count
18
MDL Number
MFCD09879848
Monoisotopic Mass
491.71080
Rotatable Bond Count
0
Topological Polar Surface Area
25.8 Ų
