Cobalt(II) Tetraphenylporphyrin - ≥95% , CAS No.14172-90-8

CAS: 14172-90-8 Cat. No.: C190873 Molecular Weight: 671.65 EC Number: 238-018-8 PubChem CID: 3994434

GRADE & PURITY ≥95%

Synonyms

Cobalt(II) meso-tetraphenylporphine | SY072707 | 5,10,15,20-Tetraphenyl-21H,23H-porphine cobalt(II) | D89572 | Co(II) meso-Tetraphenylporphine | cobalt(ii) tetraphenylporphyrin | MFCD00010725 | Cobalt TPP | STL151292 | Co-5,10,15,20-Tetraphenylporphyrin |

Storage

Store at 2-8°C

Shipped In

Wet ice

Overview

Used in the decomposition of substituted cycloheptatriene endoperoxides in the synthesis of unsymmetrically substituted dihydrooxepines.

Specifications

Synonyms

Cobalt(II) meso-tetraphenylporphine | SY072707 | 5, 10, 15, 20-Tetraphenyl-21H, 23H-porphine cobalt(II) | D89572 | Co(II) meso-Tetraphenylporphine | cobalt(ii) tetraphenylporphyrin | MFCD00010725 | Cobalt TPP | STL151292 | Co-5, 10, 15, 20-Tetraphenylporphyrin |

Specifications & Purity

≥95%

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 504762803
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504762803
• Canonical Smiles: C1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)C7=CC=CC=C7)C8=CC=CC=C8)C=C4)C9=CC=CC=C9)[N-]3.[Co+2]
• IUPAC Name: cobalt(2+);5,10,15,20-tetraphenylporphyrin-22,24-diide
• InChIKey: LSZLYWSRWXFMOI-UHFFFAOYSA-N
• INCHI: 1S/C44H28N4.Co/c1-5-13-29(14-6-1)41-33-21-23-35(45-33)42(30-15-7-2-8-16-30)37-25-27-39(47-37)44(32-19-11-4-12-20-32)40-28-26-38(48-40)43(31-17-9-3-10-18-31)36-24-22-34(41)46-36;/h1-28H;/q-2;+2
• Isomeric SMILES: C1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)C7=CC=CC=C7)C8=CC=CC=C8)C=C4)C9=CC=CC=C9)[N-]3.[Co+2]
• PubChem CID: 3994434
• Molecular Weight: 671.65

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Tetrapyrroles and derivatives
      • Subclass Metallotetrapyrroles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Tetrapyrroles and derivatives
• Subclass: Metallotetrapyrroles
• Intermediate Tree Nodes: Not available
• Direct Parent: Metalloporphyrins
• Alternative Parents: Porphyrins Benzene and substituted derivatives Pyrroles Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic zwitterions Organic cobalt salts Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Metalloporphyrin - Porphyrin - Monocyclic benzene moiety - Benzenoid - Pyrrole - Heteroaromatic compound - Organic transition metal salt - Azacycle - Organic cobalt salt - Organic salt - Organic nitrogen compound - Organic zwitterion - Hydrocarbon derivative - Organonitrogen compound - Organopnictogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as metalloporphyrins. These are polycyclic compounds containing a porphyrin moiety and a metal atom.
• 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

• Sensitivity: light sensitive
• Melt Point(°C): >300°C
• Molecular Weight: 671.700 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 671.165 Da
• Monoisotopic Mass: 671.165 Da
• Topological Polar Surface Area: 26.700 Ų
• Heavy Atom Count: 49
• Formal Charge: 0
• Complexity: 1330.000
• 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

1. Zou Bin, Liu Feng, Yan Yan.  (2022)  Biomimetic metalloporphyrin oxidase modified carbon nanotubes for highly sensitive and stable quantification of anti-oxidants tert-butylhydroquinone in plant oil.  FOOD CHEMISTRY,      [PMID:35436634] [10.1016/j.foodchem.2022.132898]

2. Bihua Hu, Weiwei Xie, Ruchun Li, Zhangweihao Pan, Shuqin Song, Yi Wang.  (2019)  How does the ligands structure surrounding metal-N4 of Co-based macrocyclic compounds affect electrochemical reduction of CO2 performance?.  ELECTROCHIMICA ACTA,      [PMID:] [10.1016/j.electacta.2019.135283]

3. Guiqiang Pu, Zhaofan Yang, Yali Wu, Ze Wang, Yang Deng, YunJing Gao, Zhen Zhang, Xiaoquan Lu.  (2019)  Investigation into the Oxygen-Involved Electrochemiluminescence of Porphyrins and Its Regulation by Peripheral Substituents/Central Metals.  ANALYTICAL CHEMISTRY,      [PMID:30636409] [10.1021/acs.analchem.8b05027]

4. Runkun Zhang, Yanhui Zhong, Yufei Hu, Yi Chen, Ling Xia, Gongke Li.  (2024)  Liquid-Phase Cyclic Chemiluminescence for the Identification of Cobalt Speciation.  ANALYTICAL CHEMISTRY,      [PMID:38359085] [10.1021/acs.analchem.3c05864]

5. Jun Fang, Ya-Nan Zhu, Xuemei Long, Xi-Bo Li, Qiao Zhang, Guangxing Yang, Shengjun Du, Zhting Liu, Zhuming Liu, Feng Peng.  (2024)  Theoretical calculations and experimental verification of carbon dioxide reduction electrocatalyzed by metalloporphyrin.  JOURNAL OF COLLOID AND INTERFACE SCIENCE,      [PMID:38678891] [10.1016/j.jcis.2024.04.176]

6. Zitao Yang, Chao Li, Jing Xu, Fangdi Wu, Kefan Zhang, Junhao Cai, Huaixiu Ye, Shuang Yang, Rongqi Zhang, Qing Wang, Yongnan Zhao.  (2026)  π-π stabilized cobalt tetraphenylporphyrin/MXene hybrids enable high-energy-density symmetric all-solid-state supercapacitors.  JOURNAL OF ALLOYS AND COMPOUNDS,      [PMID:] [10.1016/j.jallcom.2026.186368]