Tetrasodium-meso-tetra(4-sulfonatophenyl)porphine hydrate - ≥85% , CAS No.39050-26-5

CAS: 39050-26-5 Cat. No.: T638554 Molecular Weight: 1022.9（anhydrous） PubChem CID: 135530797

GRADE & PURITY ≥85%

Synonyms

39050-26-5|Benzenesulfonic acid, 4,4',4'',4'''-(21H,23H-porphine-5,10,15,20-tetrayl)tetrakis-, sodium salt (1:4)|TETRASODIUM-MESO-TETRA(4-SULFONATOPHENYL)PORPHINE|tetrasodium;4-[10,15,20-tris(4-sulfonatophenyl)-21,23-dihydroporphyrin-5-yl]benzenesulfonate

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

39050-26-5 | Benzenesulfonic acid, 4, 4', 4'', 4'''-(21H, 23H-porphine-5, 10, 15, 20-tetrayl)tetrakis-, sodium salt (1:4) | TETRASODIUM-MESO-TETRA(4-SULFONATOPHENYL)PORPHINE | tetrasodium;4-[10, 15, 20-tris(4-sulfonatophenyl)-21, 23-dihydroporphyrin-5-yl]benzenesulfonate

Specifications & Purity

≥85%

Storage

Store at 2-8°C, Protected from light, Argon charged

Shipped In

Wet ice

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

Purity

≥85%

Names and Identifiers

• 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)S(=O)(=O)[O-])C8=CC=C(C=C8)S(=O)(=O)[O-])C=C4)C9=CC=C(C=C9)S(=O)(=O)[O-])N3)S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]
• IUPAC Name: tetrasodium;4-[10,15,20-tris(4-sulfonatophenyl)-21,23-dihydroporphyrin-5-yl]benzenesulfonate
• InChIKey: OFULOVGOJWDDRJ-UHFFFAOYSA-J
• INCHI: 1S/C44H30N4O12S4.4Na/c49-61(50,51)29-9-1-25(2-10-29)41-33-17-19-35(45-33)42(26-3-11-30(12-4-26)62(52,53)54)37-21-23-39(47-37)44(28-7-15-32(16-8-28)64(58,59)60)40-24-22-38(48-40)43(36-20-18-34(41)46-36)27-5-13-31(14-6-27)63(55,56)57;;;;/h1-24,45,48H,(H,49,50,51)(H,52,53,54)(H,55,56,57)(H,58,59,60);;;;/q;4*+1/p-4
• 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)S(=O)(=O)[O-])C8=CC=C(C=C8)S(=O)(=O)[O-])C=C4)C9=CC=C(C=C9)S(=O)(=O)[O-])N3)S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]
• PubChem CID: 135530797
• Molecular Weight: 1022.9（anhydrous）

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Tetrapyrroles and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Tetrapyrroles and derivatives
• Alternative Parents: Benzenesulfonic acids and derivatives 1-sulfo,2-unsubstituted aromatic compounds Sulfonyls Pyrroles Organosulfonic acids Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic sodium salts Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Tetrapyrrole skeleton - Benzenesulfonate - 1-sulfo,2-unsubstituted aromatic compound - Arylsulfonic acid or derivatives - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Pyrrole - Azacycle - Organic alkali metal salt - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic sodium salt - Organic salt - Organosulfur compound - Organonitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as tetrapyrroles and derivatives. These are polycyclic aromatic compounds containing four pyrrole rings joined by one-carbon units linking position 2 of one pyrrole ring to position 5 of the next.
• 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

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: light sensitive
• Molecular Weight: 1022.900 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 4
• Exact Mass: 1022 Da
• Monoisotopic Mass: 1022 Da
• Topological Polar Surface Area: 320.000 Ų
• Heavy Atom Count: 68
• Formal Charge: 0
• Complexity: 1720.000
• 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: 5

XLogP3

References

1. Yumeng Cui, Yunhong Jiao, Ge Zhang, Zhiyong Huo, Jun Sun, Hongqiang Qu, Jianzhong Xu.  (2025)  Biomass-derived polyelectrolyte fire retardant: Synergistic phosphorus-nitrogen doping for enhanced epoxy resin flame retardancy and smoke suppression.  POLYMER DEGRADATION AND STABILITY,      [PMID:] [10.1016/j.polymdegradstab.2025.111207]