Iron(II) Phthalocyanine (purified by sublimation) - ≥98%(T) , CAS No.132-16-1

CAS: 132-16-1 Cat. No.: I157718 Peso molecular: 568.38 Número EC: 205-047-2 PubChem CID: 123025

GRADE & PURITY ≥98%(T)

Synonyms

[29H,31H-phthalocyaninato(2-)-N29,N30,N31,N32]iron | Iron, [29H,31H-phthalocyaninato(2-)-.kappa.N29,.kappa.N30,.kappa.N31,.kappa.N32]-, (SP-4-1)- | YSSJ00522 | I0783 | DTXSID70893421 | (29H,31H-Phthalocyaninato(2-)-N29,N30,N31,N32)iron | AKOS037645105 | A

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Sinónimos

[29H, 31H-phthalocyaninato(2-)-N29, N30, N31, N32]iron | Iron, [29H, 31H-phthalocyaninato(2-)-.kappa.N29, .kappa.N30, .kappa.N31, .kappa.N32]-, (SP-4-1)- | YSSJ00522 | I0783 | DTXSID70893421 | (29H, 31H-Phthalocyaninato(2-)-N29, N30, N31, N32)iron | AKOS037645105 | A

Especificaciones y pureza

≥98%(T)

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥98%(T)

Nombres e identificadores

• Pubchem Sid: 488187698
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488187698
• Sonrisas canónicas: 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.[Fe+2]
• IUPAC Name: 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;iron(2+)
• InChIKey: MIINHRNQLVVCEW-UHFFFAOYSA-N
• INCHI: 1S/C32H16N8.Fe/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
• Isómeros 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.[Fe+2]
• PubChem CID: 123025
• Peso molecular: 568.38
• Reaxy-Rn: 4121850

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: 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
• Descripción: 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: 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

Propiedades químicas y físicas

• Solubilidad: It is insoluble in water. It is soluble in conc. sulfuric acid.
• Sensibilidad: Air sensitive
• Peso molecular: 568.400 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 0
• Exact Mass: 568.085 Da
• Monoisotopic Mass: 568.085 Da
• Topological Polar Surface Area: 79.300 Ų
• Heavy Atom Count: 41
• Formal Charge: 0
• Complexity: 709.000
• 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

Referencias

1. Yanbin Wang, Zezhou Shi, Haibo Shen, Qiushuang Xing, Yunqing Pi.  (2023)  Efficient removal of levofloxacin by iron (II) phthalocyanine/g-C3N4 activated peroxymonosulfate under high salinity conditions: Role of high-valent iron-oxo species.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2023.144038]

2. Qi Sun, Zhaoyang Wang, Min Zhou, Jiantao Li, Ruihu Lu, Yuhan Wang, Xiaobin Liao, Yan Zhao.  (2023)  Tailoring activity of iron phthalocyanine by edge-nitrogen sites induced electronic delocalization.  APPLIED SURFACE SCIENCE,      [PMID:] [10.1016/j.apsusc.2023.157154]

3. Mengjiao Pei, Keyan Li, Xiangyang Li, Chunshan Song, Xinwen Guo.  (2023)  Facile Construction of Iron Phthalocyanine/Carbon Nitride Heterojunction toward Visible Light-Assisted Peroxydisulfate Activation for Efficient Tetracycline Degradation.  INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH,      [PMID:] [10.1021/acs.iecr.2c04057]

4. Yan Ding, Kangping Cui, Xueyan Liu, Chen-Xuan Li, Zhi Guo, Minshu Cui, Yihan Chen.  (2022)  Axial g-C3N4 coordinated iron(III) phthalocyanine mediated ultra-efficient peroxymonosulfate activation for high-valent iron species generation.  APPLIED CATALYSIS A-GENERAL,      [PMID:] [10.1016/j.apcata.2022.118679]

5. Ting Yang, Shisuo Fan, Yang Li, Qi Zhou.  (2021)  Fe-N/C single-atom catalysts with high density of Fe-Nx sites toward peroxymonosulfate activation for high-efficient oxidation of bisphenol A: Electron-transfer mechanism.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2021.129590]

6. Senan Ahmed M., Yin Binru, Zhang Yaoyao, Nasiru Mustapha M., Lyu Yong‐Mei, Umair Muhammad, Bhat Javaid A., Zhang Sicheng, Liu Li.  (2021)  Efficient and selective catalytic hydroxylation of unsaturated plant oils: a novel method for producing anti-pathogens.  BMC Chemistry,  15  (1): (1-11).  [PMID:33781309] [10.1186/s13065-021-00748-z]

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14. Zhongliang Huang, Yingru Wang, Jing Xia, Shengnan Hu, Nanjun Chen, Tianyi Ding, Changhong Zhan, Chih-Wen Pao, Zhiwei Hu, Wei-Hsiang Huang, Tong Shi, Xiangmin Meng, Yong Xu, Liang Cao, Xiaoqing Huang.  (2024)  Atom-glue stabilized Pt-based intermetallic nanoparticles.  Science Advances,  10  (40):   [PMID:39365856] [10.1126/sciadv.adq6727]

15. 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]

16. Shufang Shi, Jie Yang, Lifang Chen, Mengxue Huang, Chang Liu, Ruimin Ding, Xi Yin.  (2024)  Identifying Electrocatalytic Activity Sequence of Metal Phthalocyanines for the Hydrogen Peroxide Oxidation Reaction.  JOURNAL OF THE ELECTROCHEMICAL SOCIETY,  171  (4): (046504).  [PMID:] [10.1149/1945-7111/ad35ec]

17. Liu Jie, Ye Qiu, Wu Yi, Chen Junliang, Ge Yongjie, Zhang Linjie, Abazari Reza, Qian Jinjie.  (2025)  Short-range electronic engineering by coupling Fe phthalocyanines with MOF-derived N,S-doped carbon nanorods for oxygen reduction.  Science China-Chemistry,      [PMID:] [10.1007/s11426-024-2349-x]

18. Bin Zhang, Chen Yang, Yunjiao Jia, Guohui Nie, Guidong Yang.  (2024)  Spin modulation of single Fe atoms with thiolate-poisoned Pd nanoclusters for highly efficient ammonia synthesis.  AICHE JOURNAL,      [PMID:] [10.1002/aic.18449]

19. 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]

20. Zhaotian Chen, Juan Wang, Sibudjing Kawi, Qin Zhong.  (2025)  Coupling of iron (II) phthalocyanine and layered double hydroxide via carbon nanotubes media with pyrolysis-free for high-stability rechargeable zinc-air batteries.  JOURNAL OF COLLOID AND INTERFACE SCIENCE,      [PMID:40782485] [10.1016/j.jcis.2025.138629]

21. 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]

22. 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]

23. Xiaodan Qi, Shengnan Zhang, Zhifei Wang, Han Zhang, Lianghui Ma, Lihua Jin, Yehua Shen.  (2025)  Nanoarchitectured biomass-waste derived activated charcoal nanozymes and its application in visual analysis of nitrite in pickled food.  TALANTA,      [PMID:40344843] [10.1016/j.talanta.2025.128259]

24. Dandan Jiang, Danyang Wu, Yu Wang, Yongze Cao, Xizhen Zhang, Baojiu Chen.  (2025)  Joule-heated PdFe alloys with phase-dependent electronic structures for high-efficiency oxygen reduction.  INTERNATIONAL JOURNAL OF HYDROGEN ENERGY,      [PMID:] [10.1016/j.ijhydene.2025.05.400]

25. Hengli Qian, keyuan Zhang, Chao Xie, Qidong Hou, Ruite Lai, Guanjie Yu, Tianliang Xia, Xinyu Bai, Meiting Ju.  (2025)  g-C₃N₄-WO₃-Assisted Dispersion of FePc for Enhanced Photo-Fenton Degradation of PPCPs: Performance, Stability, and Mechanistic Insights.  JOURNAL OF HAZARDOUS MATERIALS,      [PMID:41418462] [10.1016/j.jhazmat.2025.140756]

26. Yinkun Gao, Shuyun Guan, Yongqing Wan, Mingyang Liu, Yiman Ma, Xiaojie Xu, Jiashu Yuan, Guokang Han, Peng Gao, Yongming Zhu, Shuaifeng Lou, Xudong Li.  (2026)  Geometric Deformation of Single-Active Sites Enhances Intermediate Adsorption-Activation-Coupling for Stable Lithium-Oxygen Batteries.  APPLIED CATALYSIS B-ENVIRONMENTAL,      [PMID:] [10.1016/j.apcatb.2026.126429]

27. Yu Wang, Danyang Wu, Jiao wu, Xizhen Zhang, Yongze Cao, Baojiu Chen.  (2026)  Metastable Fe-Co/NC electrocatalysts engineered by ultrafast 500 °C Joule-heating: a break from the high-temperature paradigm for superior ORR.  JOURNAL OF ELECTROANALYTICAL CHEMISTRY,      [PMID:] [10.1016/j.jelechem.2026.119988]