Phthalocyanine - ≥93%(N) , CAS No.574-93-6

CAS: 574-93-6 Cat. No.: P160721 Molecular Weight: 514.55 EC Number: 209-378-3

GRADE & PURITY ≥93%(N)

Synonyms

HSDB 4350 | 5,28-Dihydro-29H,31H-phthaloCyanine | Phthalocyanine (purified by sublimation) [for organic electronics] | PHTHALOCYANINE [HSDB] | UNII-V5PUF4VLGY | EC 209-378-3 | Phthalocyanin | YSWG725 | AKOS015912687 | Lionol Blue KW | NCGC00259070-01 | PH

Storage

Protected from light,Room temperature,Cool

Shipped In

Normal

Specifications

Synonyms

HSDB 4350 | 5, 28-Dihydro-29H, 31H-phthaloCyanine | Phthalocyanine (purified by sublimation) [for organic electronics] | PHTHALOCYANINE [HSDB] | UNII-V5PUF4VLGY | EC 209-378-3 | Phthalocyanin | YSWG725 | AKOS015912687 | Lionol Blue KW | NCGC00259070-01 | PH

Specifications & Purity

≥93%(N)

Storage

Protected from light, Room temperature, Cool

Shipped In

Normal

Purity

≥93%(N)

Names and Identifiers

• Pubchem Sid: 488202414
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488202414
• Canonical Smiles: C1=CC=C2C(=C1)C3=NC4=NC(=NC5=C6C=CC=CC6=C(N5)N=C7C8=CC=CC=C8C(=N7)N=C2N3)C9=CC=CC=C94
• IUPAC Name: 2,11,20,29,37,38,39,40-octazanonacyclo[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: IEQIEDJGQAUEQZ-UHFFFAOYSA-N
• INCHI: 1S/C32H18N8/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,(H2,33,34,35,36,37,38,39,40)
• Isomeric SMILES: C1=CC=C2C(=C1)C3=NC4=NC(=NC5=C6C=CC=CC6=C(N5)N=C7C8=CC=CC=C8C(=N7)N=C2N3)C9=CC=CC=C94
• Molecular Weight: 514.55
• Reaxy-Rn: 15026350
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=15026350&ln=

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 Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phthalocyanine skeleton - Isoindole or derivatives - Isoindole - Benzenoid - Heteroaromatic compound - Pyrrole - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - 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: tetrapyrrole fundamental parent - phthalocyanines

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

• Solubility: Insoluble in water.
• Sensitivity: light sensitive
• Melt Point(°C): >300 °C
• Molecular Weight: 514.500 g/mol
• XLogP3: 6.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 0
• Exact Mass: 514.165 Da
• Monoisotopic Mass: 514.165 Da
• Topological Polar Surface Area: 109.000 Ų
• Heavy Atom Count: 40
• Formal Charge: 0
• Complexity: 777.000
• 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. Menghui Chen, Yongting Chen, Jialin Cai, Zhili Yang, Meihua Tang, Joey Chung-Yen Jung, Shengli Chen, Jiujun Zhang, Shiming Zhang.  (2022)  Multi-sites synergistic modulation in oxygen reduction electrocatalysis.  JOURNAL OF COLLOID AND INTERFACE SCIENCE,      [PMID:36099839] [10.1016/j.jcis.2022.09.008]

2. Yueqi Li, Minjuan Cai, Bingbing Ji, Feng Wu, Li-Zhi Huang.  (2022)  Pyridinic nitrogen enables dechlorination of trichloroethylene to acetylene by green rust: Performance, mechanism and applications.  SCIENCE OF THE TOTAL ENVIRONMENT,      [PMID:35157856] [10.1016/j.scitotenv.2022.153825]

3. Kejun Chen, Maoqi Cao, Ganghai Ni, Shanyong Chen, Hanxiao Liao, Li Zhu, Hongmei Li, Junwei Fu, Junhua Hu, Emiliano Cortés, Min Liu.  (2022)  Nickel polyphthalocyanine with electronic localization at the nickel site for enhanced CO2 reduction reaction.  APPLIED CATALYSIS B-ENVIRONMENTAL,      [PMID:] [10.1016/j.apcatb.2022.121093]

4. Yilin Huang, Weidong Xue, Xingwang Hou, Rui Zhao.  (2021)  Metal Oxide/Nitrogen-Doped Carbon Nanosheet Heteronanostructures as Highly Efficient Electromagnetic Wave Absorbing Materials.  MOLECULES,  26  (24): (7537).  [PMID:34946620] [10.3390/molecules26247537]

5. Yangke Long, Jian Dai, Shiyin Zhao, Yiping Su, Zhongying Wang, Zuotai Zhang.  (2021)  Atomically Dispersed Cobalt Sites on Graphene as Efficient Periodate Activators for Selective Organic Pollutant Degradation.  ENVIRONMENTAL SCIENCE & TECHNOLOGY,      [PMID:33729757] [10.1021/acs.est.0c07794]

6. Qingshan Zhao, Xiaojie Tan, Tianwen Ma, Fengliang Cao, Zhengzheng Xia, Hui Liu, Hui Ning, Zhongtao Li, Han Hu, Mingbo Wu.  (2020)  Reinforced atomically dispersed FeNC catalysts derived from petroleum asphalt for oxygen reduction reaction.  JOURNAL OF COLLOID AND INTERFACE SCIENCE,      [PMID:33248699] [10.1016/j.jcis.2020.11.040]

7. Xiao-Cheng Liu, Chuan-Shu He, Zi-Yang Shen, Wen-Qiang Li, Ning Chen, Jun-Sheng Song, Xiao-Guo Zhou, Yang Mu.  (2020)  Mechanistic study of Fe(III) chelate reduction in a neutral electro-Fenton process.  APPLIED CATALYSIS B-ENVIRONMENTAL,      [PMID:] [10.1016/j.apcatb.2020.119347]

8. Chen Jin-ping, Zhang Xue-song.  (2018)  Phosphorous Phthalocyanine Analogues as Degradable Corrosion Inhibitor of Mild Steel in 1 mol/L HCl.  TRANSACTIONS OF THE INDIAN INSTITUTE OF METALS,  71  (5): (1113-1126).  [PMID:] [10.1007/s12666-017-1247-y]

9. Yangke Long, Guicong Xiao, Jian Dai, Yanyun Chen, Hua-Yue Zhu, Dan Peng, Huosheng Li.  (2025)  Efficacy and durability of cobalt sulfide nanoparticles and axial sulfur-coordinated cobalt single-atom composite sites in hydrogenative nitroaromatics decontamination.  JOURNAL OF COLLOID AND INTERFACE SCIENCE,      [PMID:39805216] [10.1016/j.jcis.2025.01.049]

10. Sheng Li, Wentong Fan, Qiulin Chen, Xinfeng Zhang.  (2024)  Facile Light-Driven Synthesis of Highly Luminous Sulfur Quantum Dots for Fluorescence Sensing and Cell Imaging.  ACS Applied Materials & Interfaces,      [PMID:39074383] [10.1021/acsami.4c05739]

11. Zhongliang Huang, Qi Xiao, Tianyi Ding, Jing Xia, Changhong Zhan, Xiangmin Meng, Chih-Wen Pao, Zhiwei Hu, Wei-Hsiang Huang, Yingru Wang, Nanjun Chen, Liang Cao, Xiaoqing Huang.  (2025)  Interfacial metal–coordinated bifunctional PtCo for practical fuel cells.  Science Advances,  11  (10):   [PMID:40053591] [10.1126/sciadv.adt4914]

12. Shanlei Chang, Kai Rong, Yuchen Wang, Zhixuan Yu, Junfeng Zhai, Hongwei Tian, Youxing Fang, Shaojun Dong.  (2024)  Polymerizable deep eutectic solvent enables flexible gel formation for motion sensor and anti-UV film.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2024.156597]

13. Weiting Yu, Zhe Yang, Rendan Zhu, Mengzhi Lu, Tingjiang Lu, Yan Yu, Shuang Song.  (2024)  Suppression of hydrogen evolution reaction in CO2 reduction by functionalizing Ag-decorated Si electrode with phthalocyanine.  SEPARATION AND PURIFICATION TECHNOLOGY,      [PMID:] [10.1016/j.seppur.2024.127080]

14. Xiaoyu Chu, Xinrui Wang, Shuo Tian, Yongkuo Zhao, Shikai Liu, Hong Yan, Yan Shang.  (2024)  Synthesis of Iron Phthalocyanine/CeO2 Z-scheme nanocomposites as efficient photocatalysts for degradation of 2, 4-chlorophenol.  DALTON TRANSACTIONS,      [PMID:39136079] [10.1039/D4DT01271B]

15. Yifan Zhang, Sylvestre Ndayiragije, Ming Chen, Xiaobo Wang, Lihua Zhu, Nan Wang.  (2025)  Solvent-free mechanochemical preparation of Fe-N-C loaded MnO2 to efficiently activate peroxymonosulfate for norfloxacin degradation.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2025.165973]

16. Cao Peike, Quan Xie, Nie Xiaowa, Zhao Kun, Liu Yanming, Chen Shuo, Yu Hongtao, Chen Jingguang G..  (2023)  Metal single-site catalyst design for electrocatalytic production of hydrogen peroxide at industrial-relevant currents.  Nature Communications,  14  (1): (1-12).  [PMID:36635287] [10.1038/s41467-023-35839-z]

17. Yangke Long, Shixin Huang, Jianlin Sun, Dan Peng, Zuotai Zhang.  (2022)  Markedly boosted peroxymonosulfate- and periodate-based Fenton-like activities of iron clusters on sulfur/nitrogen codoped carbon: Key roles of a sulfur dopant and compared activation mechanisms.  SCIENCE OF THE TOTAL ENVIRONMENT,      [PMID:36108861] [10.1016/j.scitotenv.2022.158752]

18. Wujiao Tan, Wenhao Yang, Dan You, Yiwei Yu, Ao Yan, Li Zhang, Xue Li, Ziyi Zhu, Yiyong Zhang.  (2026)  Phthalocyanine separator with “chelation-relay” behavior for homogeneous Zn2+ flux and ultra-stable aqueous zinc-ion batteries.  GREEN CHEMISTRY,      [PMID:] [10.1039/D5GC06098B]