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

CAS: 34671-83-5 Cat. No.: B123905 Peso molecular: 158.16 Número EC: 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

Descripción general

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

Especificaciones y pureza

≥96%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥96%

Nombres e identificadores

• Pubchem Sid: 488187739
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488187739
• Sonrisas canónicas: 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
• Isómeros SMILES: C1=CN=C(N=C1)C2=NC=CC=N2
• WGK Alemania: 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
    • Clase Diazines
      • Subclass Pyrimidines and pyrimidine derivatives

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

Propiedades químicas y físicas

• Solubilidad: Soluble in methanol
• Punto de fusión (°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