Zinc Phthalocyanine - ≥95%(T) , CAS No.14320-04-8

CAS: 14320-04-8 Cat. No.: Z163005 Molecular Weight: 577.92 EC Number: 238-262-5 PubChem CID: 2735172

GRADE & PURITY ≥95%(T)

Synonyms

ZnPc | SR-01000883715-1 | Zinc phthalocyanine | MFCD00041955 | Zinc Phthalocyanine (purified by sublimation) | Phthalocyanine zinc salt | D92011 | SY020045 | 29H,31H-Phthalocyanine, zinc complex | ciaftalan-zinc | Zinc phthalocyanine, Dye content 97 % | S

Storage

Room temperature,Argon charged,Desiccated,Cool

Shipped In

Normal

Overview

Zinc phthalocyanine (ZnPc) is commonly applied in industry (catalysts, photoconductors) and biomedical (photodynamic therapy, PDT). Zinc phthalocyanine can be used to photooxidise cyclohexane and is promising for research of solar-cell applications.

Specifications

Synonyms

ZnPc | SR-01000883715-1 | Zinc phthalocyanine | MFCD00041955 | Zinc Phthalocyanine (purified by sublimation) | Phthalocyanine zinc salt | D92011 | SY020045 | 29H, 31H-Phthalocyanine, zinc complex | ciaftalan-zinc | Zinc phthalocyanine, Dye content 97 % | S

Specifications & Purity

≥95%(T)

Storage

Room temperature, Argon charged, Desiccated, Cool

Shipped In

Normal

Purity

≥95%(T)

Names and Identifiers

• Pubchem Sid: 488192707
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488192707
• Canonical Smiles: C1=CC=C2C(=C1)C3=NC4=NC(=NC5=C6C=CC=CC6=C([N-]5)N=C7C8=CC=CC=C8C(=N7)N=C2[N-]3)C9=CC=CC=C94.[Zn+2]
• IUPAC Name: zinc;2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene
• InChIKey: PODBBOVVOGJETB-UHFFFAOYSA-N
• INCHI: 1S/C32H16N8.Zn/c1-2-10-18-17(9-1)25-33-26(18)38-28-21-13-5-6-14-22(21)30(35-28)40-32-24-16-8-7-15-23(24)31(36-32)39-29-20-12-4-3-11-19(20)27(34-29)37-25;/h1-16H;/q-2;+2
• Isomeric SMILES: C1=CC=C2C(=C1)C3=NC4=NC(=NC5=C6C=CC=CC6=C([N-]5)N=C7C8=CC=CC=C8C(=N7)N=C2[N-]3)C9=CC=CC=C94.[Zn+2]
• PubChem CID: 2735172
• Molecular Weight: 577.92
• Reaxy-Rn: 16051979

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Tetrapyrroles and derivatives
• Subclass: Phthalocyanines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phthalocyanines
• Alternative Parents: Isoindoles Benzenoids Pyrroles Heteroaromatic compounds Organic transition metal salts Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic zwitterions Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phthalocyanine skeleton - Isoindole or derivatives - Isoindole - Benzenoid - Heteroaromatic compound - Pyrrole - Azacycle - Organic transition metal salt - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organic salt - Organic zwitterion - Organonitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as phthalocyanines. These are cyclic tetrapyrroles that contain a phthalocyanine skeleton, which consists of four isoindole-type units, with the connecting carbon atoms in the macrocycle replaced by nitrogen.
• External Descriptors: metallophthalocyanine - zinc tetrapyrrole

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

• Solubility: Insoluble in water.
• Sensitivity: Air sensitive
• Molecular Weight: 577.900 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 576.079 Da
• Monoisotopic Mass: 576.079 Da
• Topological Polar Surface Area: 76.200 Ų
• Heavy Atom Count: 41
• Formal Charge: 0
• Complexity: 1080.000
• 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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