5,10,15,20-tetra(4-bromophenyl)porphyrin - ≥97% , CAS No.29162-73-0

CAS: 29162-73-0 Cat. No.: B300692 Molecular Weight: 930.34

GRADE & PURITY ≥97%

Synonyms

5,10,15,20-tetrakis(4-bromophenyl)-21,23-dihydroporphyrin | 5,10,15,20-Tetrakis(4-bromophenyl)-21H,23H-porphyrin | Tetra(p-bromophenyl)porphyrin | AS-75797 | 2,7,12,17-TETRAKIS(4-BROMOPHENYL)-21,22,23,24-TETRAAZAPENTACYCLO[16.2.1.1(3,6).1(8,11).1(13,16)]T

Storage

Protected from light,Room temperature,Argon charged

Shipped In

Normal

Specifications

Synonyms

5, 10, 15, 20-tetrakis(4-bromophenyl)-21, 23-dihydroporphyrin | 5, 10, 15, 20-Tetrakis(4-bromophenyl)-21H, 23H-porphyrin | Tetra(p-bromophenyl)porphyrin | AS-75797 | 2, 7, 12, 17-TETRAKIS(4-BROMOPHENYL)-21, 22, 23, 24-TETRAAZAPENTACYCLO[16.2.1.1(3, 6).1(8, 11).1(13, 16)]T

Specifications & Purity

≥97%

Storage

Protected from light, Room temperature, Argon charged

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 488202860
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488202860
• Canonical Smiles: C1=CC(=CC=C1C2=C3C=CC(=C(C4=NC(=C(C5=CC=C(N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)Br)C8=CC=C(C=C8)Br)C=C4)C9=CC=C(C=C9)Br)N3)Br
• IUPAC Name: 5,10,15,20-tetrakis(4-bromophenyl)-21,23-dihydroporphyrin
• InChIKey: ANWXWWSYNQLVED-UHFFFAOYSA-N
• INCHI: 1S/C44H26Br4N4/c45-29-9-1-25(2-10-29)41-33-17-19-35(49-33)42(26-3-11-30(46)12-4-26)37-21-23-39(51-37)44(28-7-15-32(48)16-8-28)40-24-22-38(52-40)43(36-20-18-34(41)50-36)27-5-13-31(47)14-6-27/h1-24,49,52H
• Isomeric SMILES: C1=CC(=CC=C1C2=C3C=CC(=C(C4=NC(=C(C5=CC=C(N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)Br)C8=CC=C(C=C8)Br)C=C4)C9=CC=C(C=C9)Br)N3)Br
• Molecular Weight: 930.34
• Reaxy-Rn: 16956682
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=16956682&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Tetrapyrroles and derivatives
• Subclass: Porphyrins
• Intermediate Tree Nodes: Not available
• Direct Parent: Porphyrins
• Alternative Parents: Bromobenzenes Aryl bromides Pyrroles Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Porphyrin - Halobenzene - Bromobenzene - Benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl bromide - Heteroaromatic compound - Pyrrole - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organobromide - Organohalogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as porphyrins. These are compounds containing a fundamental skeleton of four pyrrole nuclei united through the alpha-positions by four methine groups to form a macrocyclic structure.
• 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: Sensitive to light; sensitive to air
• Molecular Weight: 930.300 g/mol
• XLogP3: 13.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 929.885 Da
• Monoisotopic Mass: 925.889 Da
• Topological Polar Surface Area: 57.400 Ų
• Heavy Atom Count: 52
• Formal Charge: 0
• Complexity: 973.000
• 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. Yulin Wang, Weitian Han, Yongbiao Hua, Jixuan Chen, Dongmei Liu, Jiaqiuzi Zhang, Jinting Chen, Libo Nie, Xiuzhen Qiu, Huishi Guo.  (2024)  Efficient visual detection and adsorption of tetracyclines using zinc porphyrin-based microporous organic networks.  SEPARATION AND PURIFICATION TECHNOLOGY,      [PMID:] [10.1016/j.seppur.2024.126491]

2. Gang Xiang, Wensi Xu, Wenfeng Zhuge, Zhengfa Zhang, Cuizhong Zhang, Jinyun Peng, Fuyan Li.  (2024)  Porphyrin-based conjugated microporous polymer-grafted graphene electrochemical sensor for vanillin detection.  JOURNAL OF THE CHINESE CHEMICAL SOCIETY,      [PMID:] [10.1002/jccs.202400171]

3. Yuanyuan Cui, Gang Fu, Jiaxing Wen, Li Yang, Jiaxu Zhang, Jianmin Sun.  (2025)  Experimental and DFT investigations of multiple active sites in Zr/Co-MOFs catalysts for tandem catalysis of styrene to styrene carbonate.  FUEL,      [PMID:] [10.1016/j.fuel.2025.137086]