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4,7-Dibromo-1,10-phenanthroline - ≥97.0%, high purity , CAS No.156492-30-7
Basic Description
Synonyms
D4987 | 4,7-dibromo-1,10-phenanthroline | DTXSID90464571 | AKOS025117619 | 1,10-Phenanthroline, 4,7-dibromo- | SY106025 | DS-9506 | C72957 | EN300-6744458 | SCHEMBL2206337 | MFCD25562940
Specifications & Purity
≥97%
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Phenanthrolines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Phenanthrolines
Alternative Parents
Haloquinolines Pyridines and derivatives Benzenoids Aryl bromides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1,10-phenanthroline - Haloquinoline - Quinoline - Aryl bromide - Aryl halide - Benzenoid - Pyridine - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organobromide - Organohalogen compound - Organopnictogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as phenanthrolines. These are aromatic polycyclic compounds containing the phenanthroline skeleton, which is a derivative of phenanthrene, and consists of two pyridine rings non-linearly joined by a benzene ring.
External Descriptors
Not available
Data sources
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.
Names and Identifiers
Pubchem Sid
504766377
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504766377
IUPAC Name
4,7-dibromo-1,10-phenanthroline
INCHI
InChI=1S/C12H6Br2N2/c13-9-3-5-15-11-7(9)1-2-8-10(14)4-6-16-12(8)11/h1-6H
InChIKey
AKZAIDYHEKUXBU-UHFFFAOYSA-N
Smiles
C1=CC2=C(C=CN=C2C3=NC=CC(=C31)Br)Br
Isomeric SMILES
C1=CC2=C(C=CN=C2C3=NC=CC(=C31)Br)Br
Molecular Weight
338
Reaxy-Rn
180291
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=180291&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Melt Point(°C)
236°C(lit.)
Molecular Weight
338.000 g/mol
XLogP3
3.800
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
0
Exact Mass
337.888 Da
Monoisotopic Mass
335.89 Da
Topological Polar Surface Area
25.800 Ų
Heavy Atom Count
16
Formal Charge
0
Complexity
235.000
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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H1730045