4-(3,5-Dibromophenyl)-2,6-diphenylpyrimidine - ≥98%(HPLC)(N) , CAS No.607740-08-9

CAS: 607740-08-9 Cat. No.: D155120 Peso molecular: 466.18 Número EC: 811-050-5

GRADE & PURITY ≥98%(HPLC)(N)

Synonyms

DTXSID20630944 | 4-(3,5-DIBROMOPHENYL)-2,6-DIPHENYLPYRIMIDINE | FT-0757388 | C22H14Br2N2 | AKOS016003423 | AM20040836 | C75842 | Pyrimidine,4-(3,5-dibromophenyl)-2,6-diphenyl- | A21132 | DS-15186 | SB60406 | SCHEMBL3734495 | D4895 | AC-26880 | MFCD1661932

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

DTXSID20630944 | 4-(3, 5-DIBROMOPHENYL)-2, 6-DIPHENYLPYRIMIDINE | FT-0757388 | C22H14Br2N2 | AKOS016003423 | AM20040836 | C75842 | Pyrimidine, 4-(3, 5-dibromophenyl)-2, 6-diphenyl- | A21132 | DS-15186 | SB60406 | SCHEMBL3734495 | D4895 | AC-26880 | MFCD1661932

Especificaciones y pureza

≥98%(HPLC)(N)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%(HPLC)(N)

Nombres e identificadores

• Pubchem Sid: 488200291
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488200291
• Sonrisas canónicas: C1=CC=C(C=C1)C2=CC(=NC(=N2)C3=CC=CC=C3)C4=CC(=CC(=C4)Br)Br
• IUPAC Name: 4-(3,5-dibromophenyl)-2,6-diphenylpyrimidine
• InChIKey: DLXBSWIBLRUGFU-UHFFFAOYSA-N
• INCHI: 1S/C22H14Br2N2/c23-18-11-17(12-19(24)13-18)21-14-20(15-7-3-1-4-8-15)25-22(26-21)16-9-5-2-6-10-16/h1-14H
• Isómeros SMILES: C1=CC=C(C=C1)C2=CC(=NC(=N2)C3=CC=CC=C3)C4=CC(=CC(=C4)Br)Br
• Peso molecular: 466.18
• Reaxy-Rn: 23227281
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=23227281&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: Phenylpyrimidines
• Alternative Parents: Bromobenzenes Aryl bromides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 4-phenylpyrimidine - Halobenzene - Bromobenzene - Benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl bromide - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organobromide - Organohalogen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenylpyrimidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrimidine ring through a CC or CN bond. 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

• Punto de fusión (°C): 199 °C
• Peso molecular: 466.200 g/mol
• XLogP3: 6.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 465.95 Da
• Monoisotopic Mass: 463.952 Da
• Topological Polar Surface Area: 25.800 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 424.000
• 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