2,2′-Bipyrimidine - ≥96% , CAS No.34671-83-5

CAS: 34671-83-5 Cat. No.: B123905 Fórmula: C₈H₆N₄ Peso molecular: 158.16 Número CE: 252-137-2

GRADE & PURITY ≥96%

Synonyms

2-pyrimidin-2-ylpyrimidine | HKOAFLAGUQUJQG-UHFFFAOYSA-N | AKOS015840944 | 2-(pyrimidin-2-yl)pyrimidine | 2,2'-DIPYRIMIDINE | SCHEMBL171853 | 2,2'-Bipyrimidyl | 2,2'-Bipyrimidine, 95% | 2,2 inverted exclamation mark -Bipyrimidine | FT-0603730 | UNII-Y67VU

Storage

Room temperature

Shipped In

Normal

Visão geral

2,2′-Bipyrimidine (bpym) is a bridging, Π-delocalized bis chelate ligand that complexes with metal ions to form mononuclear and binuclear complexes. The photoluminescence characteristics of 2,2′-bipyrimidine/lanthanide ion complexes have been studied.

Specifications

Sinónimos

2-pyrimidin-2-ylpyrimidine | HKOAFLAGUQUJQG-UHFFFAOYSA-N | AKOS015840944 | 2-(pyrimidin-2-yl)pyrimidine | 2,2'-DIPYRIMIDINE | SCHEMBL171853 | 2,2'-Bipyrimidyl | 2,2'-Bipyrimidine, 95% | 2,2 inverted exclamation mark -Bipyrimidine | FT-0603730 | UNII-Y67VU

Especificações e pureza

≥96%

Aplicação

2,2′-Bipyrimidine (bpym) may be used as a ligand in the synthesis of the following complexes: [Mn2(bpym)(N3)4] where N3 = azide [Fe(bt)(NCS)2]2bpym, where bt = 2,2′-bi-2-thiazoline and NCS = isocyanate Co2{[N(CN)2]4bpym}·H2O and Co{[N(CN)2]2bpym}·H2O [MoM

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥96%

Nomes e identificadores

• Pubchem Sid: 488187739
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488187739
• Sorrisos canónicos: C1=CN=C(N=C1)C2=NC=CC=N2
• IUPAC Name: 2-pyrimidin-2-ylpyrimidine
• InChIKey: HKOAFLAGUQUJQG-UHFFFAOYSA-N
• INCHI: 1S/C8H6N4/c1-3-9-7(10-4-1)8-11-5-2-6-12-8/h1-6H
• SMILES isoméricas: C1=CN=C(N=C1)C2=NC=CC=N2
• WGK Alemanha: 3
• Peso molecular: 158.16
• Reaxy-Rn: 607396
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=607396&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Diazines
      • Subclass Pyrimidines and pyrimidine derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Diazines
• Subclass: Pyrimidines and pyrimidine derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Bipyrimidines and oligopyrimidines
• Alternative Parents: Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Bipyrimidine - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as bipyrimidines and oligopyrimidines. These are organic compounds containing two or more pyrimidine rings directly linked to each other. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.
• 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

Propriedades químicas e físicas

• Solubilidade: Soluble in methanol
• Ponto de fusão (°C): 113°C
• Peso molecular: 158.160 g/mol
• XLogP3: 0.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 158.059 Da
• Monoisotopic Mass: 158.059 Da
• Topological Polar Surface Area: 51.600 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 111.000
• 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