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4，7-Bis(4-bromophenyl)-1，10-phenanthroline - ≥98%, high purity , CAS No.97802-08-9

COA

Grade & Purity:

≥98%

Cas Number: 97802-08-9
Molecular Weight: 490.21
PubChem CID: 18759610

In stock

Item Number

B729401

Grouped product items
SKU	Size	Availability	Price	Qty
B729401-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$135.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Quinolines and derivatives
    - Subclass Phenylquinolines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Quinolines and derivatives
Subclass	Phenylquinolines
Intermediate Tree Nodes	Not available
Direct Parent	Phenylquinolines
Alternative Parents	Phenanthrolines Phenylpyridines Bromobenzenes Aryl bromides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Phenylquinoline - 1,10-phenanthroline - 4-phenylpyridine - Bromobenzene - Halobenzene - Pyridine - Aryl bromide - Monocyclic benzene moiety - Aryl halide - Benzenoid - Heteroaromatic compound - Azacycle - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as phenylquinolines. These are heterocyclic compounds containing a quinoline moiety substituted with a phenyl group.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	4,7-bis(4-bromophenyl)-1,10-phenanthroline
INCHI	InChI=1S/C24H14Br2N2/c25-17-5-1-15(2-6-17)19-11-13-27-23-21(19)9-10-22-20(12-14-28-24(22)23)16-3-7-18(26)8-4-16/h1-14H
InChIKey	QALMOXHIAPMJAB-UHFFFAOYSA-N
Smiles	C1=CC(=CC=C1C2=C3C=CC4=C(C=CN=C4C3=NC=C2)C5=CC=C(C=C5)Br)Br
Isomeric SMILES	C1=CC(=CC=C1C2=C3C=CC4=C(C=CN=C4C3=NC=C2)C5=CC=C(C=C5)Br)Br
PubChem CID	18759610
Molecular Weight	490.21

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	490.200 g/mol
XLogP3	7.100
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	489.95 Da
Monoisotopic Mass	487.952 Da
Topological Polar Surface Area	25.800 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	467.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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