4,7-Dimethyl-1,10-phenanthroline - ≥98% , CAS No.3248-05-3

CAS: 3248-05-3 Cat. No.: D119916 Molecular Weight: 208.26 EC Number: 221-827-5

GRADE & PURITY ≥98%

Synonyms

5-Fluoro-l-(2-furanidinyl)-4-(trimethylsilyloxy)-2-pyrimidone | P3YJ54Z8ZO | SCHEMBL182930 | DS-2431 | DTXSID9062932 | NSC 4281 | 4,7-Dimethyl-(1,10)phenanthroline | Nitrotetrazolium Blue | UNII-P3YJ54Z8ZO | AKOS003369115 | EINECS 221-827-5 | PD007843 | M

Storage

Room temperature

Shipped In

Normal

Overview

application：

4,7-Dimethyl-1,10-phenanthroline acts as an intermediate in synthetic chemistry and dyestuff field. It is also used as an organic bidentate ligand and form complexes with metal for detection. Further, it plays an important role in colorimetric sensors, coordination polymer, ionochromism and luminescence.

Specifications

Synonyms

5-Fluoro-l-(2-furanidinyl)-4-(trimethylsilyloxy)-2-pyrimidone | P3YJ54Z8ZO | SCHEMBL182930 | DS-2431 | DTXSID9062932 | NSC 4281 | 4, 7-Dimethyl-(1, 10)phenanthroline | Nitrotetrazolium Blue | UNII-P3YJ54Z8ZO | AKOS003369115 | EINECS 221-827-5 | PD007843 | M

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488184713
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488184713
• Canonical Smiles: CC1=C2C=CC3=C(C=CN=C3C2=NC=C1)C
• IUPAC Name: 4,7-dimethyl-1,10-phenanthroline
• InChIKey: JIVLDFFWTQYGSR-UHFFFAOYSA-N
• INCHI: 1S/C14H12N2/c1-9-5-7-15-13-11(9)3-4-12-10(2)6-8-16-14(12)13/h3-8H,1-2H3
• Isomeric SMILES: CC1=C2C=CC3=C(C=CN=C3C2=NC=C1)C
• Molecular Weight: 208.26
• Reaxy-Rn: 154062
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=154062&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: Quinolines and derivatives Methylpyridines Benzenoids Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 1,10-phenanthroline - Quinoline - Methylpyridine - Benzenoid - Pyridine - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen 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

Associated Targets(Human)

CCR1 Tchem C-C chemokine receptor type 1 (1730 Activities)

Discover Target: CCR1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CCR5 Tclin C-C chemokine receptor type 5 (5640 Activities)

Discover Target: CCR5

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in benzene and alcohol. Slightly soluble in water.
• Melt Point(°C): 190-196°C
• Molecular Weight: 208.260 g/mol
• XLogP3: 3.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 208.1 Da
• Monoisotopic Mass: 208.1 Da
• Topological Polar Surface Area: 25.800 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 227.000
• 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. H. C. Guo, R. H. Zheng, H. J. Jiang.  (2012)  Improved Synthesis of 2,9-Dichloro-1,10-phenanthroline.  ORGANIC PREPARATIONS AND PROCEDURES INTERNATIONAL,      [PMID:] [10.1080/00304948.2012.697745]