Cobalt phthalocyanine(PcCo) - ≥95% , CAS No.3317-67-7

CAS: 3317-67-7 Cat. No.: C121597 Molecular Weight: 571.46 Beilstein Registry Number: 4121847 EC Number: 222-012-7

GRADE & PURITY ≥95%

Synonyms

Cobalt phthalocyanin | cobaltous [?] | Phthalocyaninatocobalt(II) | C3252 | DTXSID5062972 | (29H,31H-Phthalocyaninato-N29,N30,N31,N32)cobalt | P0887 | (Phthalocyaninato(2-))cobalt | Cobalt phthalocyanine | Cobalt, (phthalocyaninato(2-))- | Phthalocyanine

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Overview

Cobalt(II) phthalocyanine (CoPC )is a metallopthalocyanine.

Specifications

Synonyms

Cobalt phthalocyanin | cobaltous [?] | Phthalocyaninatocobalt(II) | C3252 | DTXSID5062972 | (29H, 31H-Phthalocyaninato-N29, N30, N31, N32)cobalt | P0887 | (Phthalocyaninato(2-))cobalt | Cobalt phthalocyanine | Cobalt, (phthalocyaninato(2-))- | Phthalocyanine

Specifications & Purity

≥95%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

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

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 504755105
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504755105
• 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.[Co+2]
• IUPAC Name: cobalt(2+);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: MPMSMUBQXQALQI-UHFFFAOYSA-N
• INCHI: 1S/C32H16N8.Co/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.[Co+2]
• WGK Germany: 3
• Molecular Weight: 571.46
• Beilstein: 4121847
• Reaxy-Rn: 16828905
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=16828905&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 Organic zwitterions Organic cobalt salts Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phthalocyanine skeleton - Isoindole - Isoindole or derivatives - Benzenoid - Pyrrole - Heteroaromatic compound - Azacycle - Organic transition metal salt - Organic nitrogen compound - Organic salt - Organic cobalt salt - Organic zwitterion - Hydrocarbon derivative - Organonitrogen compound - Organopnictogen 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: 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

• Solubility: Insoluble in water.
• Sensitivity: Air sensitive
• Melt Point(°C): 300°C(lit.)
• Molecular Weight: 571.500 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 0
• Exact Mass: 571.083 Da
• Monoisotopic Mass: 571.083 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

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