1,10-Phenanthroline monohydrochloride monohydrate - AR, ≥97% , CAS No.3829-86-5

CAS: 3829-86-5 Cat. No.: P109272 Molecular Weight: 234.68 Beilstein Registry Number: 4007967 EC Number: 223-325-1

GRADE & PURITY AR, ≥97%

Synonyms

DTXSID3063205 | FT-0606038 | o-Phenanthroline monohydrochloride monohydrate | o-Phenanthrolinehydrochloride | EN300-30074 | AKOS015903522 | 1,10-Phenanthroline HCl | 1,10-Phenanthrolinium Chloride | F1905-7124 | NSC4265 | 1,10-phenanthroline;hydrochloride

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

DTXSID3063205 | FT-0606038 | o-Phenanthroline monohydrochloride monohydrate | o-Phenanthrolinehydrochloride | EN300-30074 | AKOS015903522 | 1, 10-Phenanthroline HCl | 1, 10-Phenanthrolinium Chloride | F1905-7124 | NSC4265 | 1, 10-phenanthroline;hydrochloride

Specifications & Purity

AR, ≥97%

Storage

Room temperature

Shipped In

Normal

Grade

AR

Purity

≥97%

Names and Identifiers

• Canonical Smiles: C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.Cl
• IUPAC Name: 1,10-phenanthroline;hydrochloride
• InChIKey: QPXDKQBBJCTNOY-UHFFFAOYSA-N
• INCHI: 1S/C12H8N2.ClH/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;/h1-8H;1H
• Isomeric SMILES: C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.Cl
• WGK Germany: 3
• Alternate CAS: 18851-33-7
• UN Number: 2811
• Molecular Weight: 234.68
• Beilstein: 4007967
• Reaxy-Rn: 4007967
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4007967&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 Pyridines and derivatives Benzenoids Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 1,10-phenanthroline - Quinoline - Benzenoid - Pyridine - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Hydrochloride - 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

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Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Hygroscopic,Light sensitive.
• Melt Point(°C): 224-225°C
• Molecular Weight: 216.660 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 216.045 Da
• Monoisotopic Mass: 216.045 Da
• Topological Polar Surface Area: 25.800 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 182.000
• 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: 2

XLogP3

References

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2. Qiqi Xu, Yusheng Hua, Yuetong Zhang, Mingzhu Lv, Huan Wang, Yang Pi, Jiani Xie, Chengyan Wang, Yuan Yong.  (2021)  A Biofilm Microenvironment-Activated Single-Atom Iron Nanozyme with NIR-Controllable Nanocatalytic Activities for Synergetic Bacteria-Infected Wound Therapy.  Advanced Healthcare Materials,  10  (22): (2101374).  [PMID:34617410] [10.1002/adhm.202101374]

3. Xueyan Xu, Rui Chen, Xinwei Ye, Hailong Fei, Pingchuan Sun, Tiehong Chen.  (2020)  Monolayer carbon nanoshells by pyrolysis of organics.  Materials Today Communications,      [PMID:] [10.1016/j.mtcomm.2020.101293]

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5. Yao Liu, Xiaolong Yao, Zhibo Wang, Hailong Li, Xianbao Shen, Zhiliang Yao, Feng Qian.  (2019)  Synthesis of Activated Carbon from Citric Acid Residue by Phosphoric Acid Activation for the Removal of Chemical Oxygen Demand from Sugar-Containing Wastewater.  ENVIRONMENTAL ENGINEERING SCIENCE,  36  (6): (656-666).  [PMID:] [10.1089/ees.2018.0506]

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8. Dapeng Sun, Chenglong Ye, Zhuo Chen.  (2024)  Sensitive Fluorescent Determination of Matrix Metalloproteinase-2 (MMP-2) Using the Inner Filter Effect (IFE) with Carbon Dots and Aggregated Gold Nanoparticles.  ANALYTICAL LETTERS,      [PMID:] [10.1080/00032719.2024.2436456]

9. Jie Huang, Xue Fan, Fei Yan, Jiyang Liu.  (2024)  Vertical Silica Nanochannels and o-Phenanthroline Chelator for the Detection of Trace Fe(II).  ACS Applied Nano Materials,      [PMID:] [10.1021/acsanm.4c00385]