1,2,4,5-Tetrazine - ≥95% , CAS No.290-96-0

CAS: 290-96-0 Cat. No.: T588596 Peso molecular: 82.06 PubChem CID: 9263

GRADE & PURITY ≥95%

Synonyms

1,2,4,5-Tetraazine # | DTXSID90183194 | Q27119812 | InChI=1/C2H2N4/c1-3-5-2-6-4-1/h1-2 | SY013765 | 1,2,4,5-TETRAZINE | 1,2,4,5-Tetraazine | s-Tetrazine | s-Tetrazine (8CI) | CHEBI:39320 | F52551 | A936718 | sym-Tetrazine

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

1, 2, 4, 5-Tetraazine # | DTXSID90183194 | Q27119812 | InChI=1/C2H2N4/c1-3-5-2-6-4-1/h1-2 | SY013765 | 1, 2, 4, 5-TETRAZINE | 1, 2, 4, 5-Tetraazine | s-Tetrazine | s-Tetrazine (8CI) | CHEBI:39320 | F52551 | A936718 | sym-Tetrazine

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Store at -20°C, Argon charged

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥95%

Nombres e identificadores

• Pubchem Sid: 504751812
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504751812
• Sonrisas canónicas: C1=NN=CN=N1
• IUPAC Name: 1,2,4,5-tetrazine
• InChIKey: HTJMXYRLEDBSLT-UHFFFAOYSA-N
• INCHI: 1S/C2H2N4/c1-3-5-2-6-4-1/h1-2H
• Isómeros SMILES: C1=NN=CN=N1
• PubChem CID: 9263
• Peso molecular: 82.06

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Tetrazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Tetrazines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Tetrazines
• Alternative Parents: Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Tetrazine - 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 tetrazines. These are organic compounds containing a tetrazine ring, which is a six-membered aromatic heterocycle made up of four nitrogen atoms and a two carbon atoms.
• External Descriptors: tetrazine

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: 82.060 g/mol
• XLogP3: -1.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 82.0279 Da
• Monoisotopic Mass: 82.0279 Da
• Topological Polar Surface Area: 51.600 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 26.500
• 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. Ting Li, Yuhao Tian, Xiaoli Yan, Weijie Cai.  (2023)  CO2 Reforming with Ethanol for Syngas Production over SiO2-M@CeO2 Catalysts (M: Cu,Ni): Impact of Active Metal.  ChemCatChem,  15  (22): (e202300967).  [PMID:] [10.1002/cctc.202300967]