Nickel(II) phthalocyanine-tetrasulfonic acid tetrasodium salt - ≥94% , CAS No.27835-99-0

CAS: 27835-99-0 Cat. No.: N350058 Peso molecular: 979.40 Número EC: 628-232-3 PubChem CID: 22836350

GRADE & PURITY ≥94%

Synonyms

Tetrasodium;2,11,20,29,38,40-hexaza-37,39-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3(40),4(9),5,7,10,12,14,16,18,20,22(27),23,25,28(38),29,31(36),32,34-nonadecaene-6,15,24,34-tetrasulfonate;nickel(2+) | J-016893

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

Tetrasodium;2, 11, 20, 29, 38, 40-hexaza-37, 39-diazanidanonacyclo[28.6.1.13, 10.112, 19.121, 28.04, 9.013, 18.022, 27.031, 36]tetraconta-1, 3(40), 4(9), 5, 7, 10, 12, 14, 16, 18, 20, 22(27), 23, 25, 28(38), 29, 31(36), 32, 34-nonadecaene-6, 15, 24, 34-tetrasulfonate;nickel(2+) | J-016893

Especificaciones y pureza

≥94%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥94%

Nombres e identificadores

• Pubchem Sid: 504769309
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504769309
• Sonrisas canónicas: [Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1ccc2c3nc(nc4n5[Ni]n6c(nc7nc(nc5c8cc(ccc48)S([O-])(=O)=O)c9cc(ccc79)S([O-])(=O)=O)c%10ccc(cc%10c6n3)S([O-])(=O)=O)c2c1
• IUPAC Name: tetrasodium;2,11,20,29,38,40-hexaza-37,39-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3(40),4(9),5,7,10,12,14,16,18,20,22(27),23,25,28(38),29,31(36),32,34-nonadecaene-6,15,24,34-tetrasulfonate;nickel(2+)
• InChIKey: UAMQBHBCNOEWGQ-UHFFFAOYSA-J
• INCHI: 1S/C32H16N8O12S4.4Na.Ni/c41-53(42,43)13-1-5-17-21(9-13)29-34-25(17)33-26-18-6-2-15(55(47,48)49)11-23(18)31(35-26)40-32-24-12-16(56(50,51)52)4-8-20(24)28(39-32)38-30-22-10-14(54(44,45)46)3-7-19(22)27(36-29)37-30;;;;;/h1-12H,(H4-2,33,34,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49,50,51,52);;;;;/q-2;4*+1;+2/p-4
• Isómeros SMILES: C1=CC2=C(C=C1S(=O)(=O)[O-])C3=NC4=NC(=NC5=C6C=C(C=CC6=C([N-]5)N=C7C8=C(C=CC(=C8)S(=O)(=O)[O-])C(=N7)N=C2[N-]3)S(=O)(=O)[O-])C9=C4C=C(C=C9)S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Ni+2]
• WGK Alemania: 3
• PubChem CID: 22836350
• Peso molecular: 979.40

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 1-sulfo,2-unsubstituted aromatic compounds Benzenoids Sulfonyls Pyrroles Organosulfonic acids Heteroaromatic compounds Organic transition metal salts Azacyclic compounds Organonitrogen compounds Organic sodium salts Organic oxides Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phthalocyanine skeleton - Arylsulfonic acid or derivatives - Isoindole - Isoindole or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Benzenoid - Pyrrole - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Azacycle - Organic alkali metal salt - Organic transition metal salt - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Organic oxide - Organic sodium salt - Organic salt - Organic cation - 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