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

CAS: 290-96-0 Cat. No.: T588596 Molecular Weight: 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

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

Specifications & Purity

≥95%

Storage

Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 504751812
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504751812
• Canonical Smiles: 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
• Isomeric SMILES: C1=NN=CN=N1
• PubChem CID: 9263
• Molecular Weight: 82.06

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Tetrazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: 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
• Description: 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

Chemical and Physical Properties

• Molecular Weight: 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

References

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]