3,5,6,8-Tetrabromo-1,10-phenanthroline

Catalog Number	ACM66127002-2
CAS	66127-00-2
Structure
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
Application	3,5,6,8-Tetrabromo-1,10-phenanthroline can be used in the nickel-catalyzed amination of aryl and heteroaryl chlorides.
Complexity	287
Covalently-Bonded Unit Count	1
Exact Mass	495.70670
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
MDL Number	MFCD09879848
Monoisotopic Mass	491.71080
Rotatable Bond Count	0
Topological Polar Surface Area	25.8 Ų