3,8-Dibromo-1,10-phenanthroline - ≥96%(HPLC) , CAS No.100125-12-0

CAS: 100125-12-0 Cat. No.: D155693 Molecular Weight: 338.00 Beilstein Registry Number: 23(3/4)1682 EC Number: 845-981-3

GRADE & PURITY ≥96%(HPLC)

Synonyms

A846134 | YSWG167 | 3,8-Dibromo-11,10-phenanthroline | MFCD09909860 | D3209 | 1,10-Phenanthroline, 3,8-dibromo- | NoName_3838 | GS-4403 | AKOS015899955 | SCHEMBL557234 | DTXSID10903215 | (S)-2-Amino-3-(4-isopropoxyphenyl)propanoic acid hydrochloride | FT-

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

A846134 | YSWG167 | 3, 8-Dibromo-11, 10-phenanthroline | MFCD09909860 | D3209 | 1, 10-Phenanthroline, 3, 8-dibromo- | NoName_3838 | GS-4403 | AKOS015899955 | SCHEMBL557234 | DTXSID10903215 | (S)-2-Amino-3-(4-isopropoxyphenyl)propanoic acid hydrochloride | FT-

Specifications & Purity

≥96%(HPLC)

Storage

Room temperature

Shipped In

Normal

Purity

≥96%(HPLC)

Names and Identifiers

• Pubchem Sid: 488197031
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488197031
• Canonical Smiles: C1=CC2=CC(=CN=C2C3=NC=C(C=C31)Br)Br
• IUPAC Name: 3,8-dibromo-1,10-phenanthroline
• InChIKey: IDWJREBUVYSPKS-UHFFFAOYSA-N
• INCHI: 1S/C12H6Br2N2/c13-9-3-7-1-2-8-4-10(14)6-16-12(8)11(7)15-5-9/h1-6H
• Isomeric SMILES: C1=CC2=CC(=CN=C2C3=NC=C(C=C31)Br)Br
• Molecular Weight: 338.00
• Beilstein: 23(3/4)1682
• Reaxy-Rn: 166808
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=166808&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Phenanthrolines

• 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 Organonitrogen compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 1,10-phenanthroline - Haloquinoline - Quinoline - Benzenoid - Pyridine - Aryl halide - Aryl bromide - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organobromide - Organohalogen 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.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Melt Point(°C): 282 °C
• 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

References

1. Hanxue Sun, Juanjuan Wang, Mengxue Li, Rui Jiao, Zhaoqi Zhu, An Li.  (2024)  Rational design of Fe, N co-doped porous carbon derived from conjugated microporous polymer as an electrocatalytic platform for oxygen reduction reaction.  JOURNAL OF COLLOID AND INTERFACE SCIENCE,      [PMID:38878370] [10.1016/j.jcis.2024.06.068]

2. Mengxue Li, Juanjuan Wang, Nana Zhu, Yang Zong, Rui Jiao, Zhaoqi Zhu, Hanxue Sun, An Li.  (2025)  Hollow Conjugated Microporous Polymer Nanosphere-Derived Fe–N–C Electrocatalysts for the Oxygen Reduction Reaction.  INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH,      [PMID:] [10.1021/acs.iecr.5c03723]