2,4,6-Tri(4-pyridyl)-1,3,5-triazine - ≥97% , CAS No.42333-78-8

CAS: 42333-78-8 Cat. No.: B300234 Peso molecular: 312.34 Número EC: 678-255-8

GRADE & PURITY ≥97%

Synonyms

10.14272/CBMYFVSIIYILRH-UHFFFAOYSA-N.3 | doi:10.14272/CBMYFVSIIYILRH-UHFFFAOYSA-N.3 | DTXSID30195150 | L-Dipalmitoyl lecithin | T1937 | 1,3,5-Triazine,2,4,6-tri-4-pyridinyl- | 2,6-TRI-4-PYRIDINYL-1,3,5-TRIAZINE | 2,4,6-(Tris-4-pyridyl)-1,3,5-triazine | 2,

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

10.14272/CBMYFVSIIYILRH-UHFFFAOYSA-N.3 | doi:10.14272/CBMYFVSIIYILRH-UHFFFAOYSA-N.3 | DTXSID30195150 | L-Dipalmitoyl lecithin | T1937 | 1, 3, 5-Triazine, 2, 4, 6-tri-4-pyridinyl- | 2, 6-TRI-4-PYRIDINYL-1, 3, 5-TRIAZINE | 2, 4, 6-(Tris-4-pyridyl)-1, 3, 5-triazine | 2,

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: C1=CN=CC=C1C2=NC(=NC(=N2)C3=CC=NC=C3)C4=CC=NC=C4
• IUPAC Name: 2,4,6-tripyridin-4-yl-1,3,5-triazine
• InChIKey: CBMYFVSIIYILRH-UHFFFAOYSA-N
• INCHI: 1S/C18H12N6/c1-7-19-8-2-13(1)16-22-17(14-3-9-20-10-4-14)24-18(23-16)15-5-11-21-12-6-15/h1-12H
• Isómeros SMILES: C1=CN=CC=C1C2=NC(=NC(=N2)C3=CC=NC=C3)C4=CC=NC=C4
• Peso molecular: 312.34
• Reaxy-Rn: 1221848
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1221848&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Triazines
      • Subclass 1,3,5-triazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Triazines
• Subclass: 1,3,5-triazines
• Intermediate Tree Nodes: Not available
• Direct Parent: 1,3,5-triazines
• Alternative Parents: Pyridines and derivatives Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 1,3,5-triazine - Pyridine - 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 1,3,5-triazines. These are compounds containing a triazine ring, which is a heterocyclic ring, similar to the six-member benzene ring but with three carbons replaced by nitrogen atoms, at ring positions 1, 3, and 5.
• 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

• Peso molecular: 312.300 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 312.112 Da
• Monoisotopic Mass: 312.112 Da
• Topological Polar Surface Area: 77.300 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 305.000
• 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

Referencias

1. Rui-Ling Zhang, Yang Yang, Song-Qiu Yang, Ke-Li Han.  (2017)  Unveiling excited state energy transfer and charge transfer in a host/guest coordination cage.  PHYSICAL CHEMISTRY CHEMICAL PHYSICS,  20  (4): (2205-2210).  [PMID:29264601] [10.1039/C7CP06577A]

2. Wu Xilu, Bao Bingwei, Bai Zhiyuan, Fan Qingchao, Hou Chengyi, Zhang Qinghong, Li Yaogang, Jiang Weizhong, Li Kerui, Wang Hongzhi.  (2025)  Heteroaromatic π-stacking engineered near-infrared absorption for highly stable near-zero transmittance electrochromic window.  Nature Communications,  16  (1): (9964).  [PMID:41224758] [10.1038/s41467-025-64955-1]