1,3,5-Triazine - ≥98%(GC) , CAS No.290-87-9

CAS: 290-87-9 Cat. No.: T162480 Molecular Weight: 81.08 Beilstein Registry Number: 104790 EC Number: 206-028-1 PubChem CID: 9262

GRADE & PURITY ≥98%(GC)

Synonyms

NSC 56189 | S-TRIAZINE [MI] | SB73673 | s-Triazine-(1,3,5) | SY031707 | UNII-8B5F4CM81E | EINECS 206-028-1 | EN300-73629 | Vedita 250 | CHEBI:30259 | InChI=1/C3H3N3/c1-4-2-6-3-5-1/h1-3 | s-Triazine, 97% | MFCD00006044 | s-Triazine | DTXSID7052785 | 1,3,5-

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Overview

1,3,5-Triazine is a useful replacement for HCN in the Gattermann reaction for the synthesis of aromatic aldehydes. It reacts with nucleophiles, e.g. amines, which is utilized in quinazoline synthesis.

Specifications

Synonyms

NSC 56189 | S-TRIAZINE [MI] | SB73673 | s-Triazine-(1, 3, 5) | SY031707 | UNII-8B5F4CM81E | EINECS 206-028-1 | EN300-73629 | Vedita 250 | CHEBI:30259 | InChI=1/C3H3N3/c1-4-2-6-3-5-1/h1-3 | s-Triazine, 97% | MFCD00006044 | s-Triazine | DTXSID7052785 | 1, 3, 5-

Specifications & Purity

≥98%(GC)

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

≥98%(GC)

Names and Identifiers

• Pubchem Sid: 504751811
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504751811
• Canonical Smiles: C1=NC=NC=N1
• IUPAC Name: 1,3,5-triazine
• InChIKey: JIHQDMXYYFUGFV-UHFFFAOYSA-N
• INCHI: 1S/C3H3N3/c1-4-2-6-3-5-1/h1-3H
• Isomeric SMILES: C1=NC=NC=N1
• WGK Germany: 3
• RTECS: XY2957000
• PubChem CID: 9262
• Molecular Weight: 81.08
• Beilstein: 104790
• Reaxy-Rn: 104790

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Triazines
• Subclass: 1,3,5-triazines
• Intermediate Tree Nodes: Not available
• Direct Parent: 1,3,5-triazines
• Alternative Parents: Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 1,3,5-triazine - 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 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: 1,3,5-triazines - triazine

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in ethanol (50 mg/ml), and methanol (100 mg/ml).
• Sensitivity: Moisture sensitive.
• Boil Point(°C): 114 °C
• Melt Point(°C): 79-83°C
• Molecular Weight: 81.080 g/mol
• XLogP3: 0.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 81.0327 Da
• Monoisotopic Mass: 81.0327 Da
• Topological Polar Surface Area: 38.700 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 21.500
• 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. Zixu Xie, Chen Chen, Xinyu Chen, Fanqiang Bu, Guofeng Li, Pengfei Zhang, Xing Wang.  (2024)  In situ borneol-modified polyester with antibacterial adhesion and long-term fungal-repellent properties.  REACTIVE & FUNCTIONAL POLYMERS,      [PMID:] [10.1016/j.reactfunctpolym.2024.105993]

2. Qingqing Yang, Chaosheng Yuan, Yongfu Liang, Xiang Zhu, Zheng Wang, Xuerui Cheng, Lei Su.  (2025)  Phase transition and chemical stability of s-Triazine under static and dynamic compression.  CHEMICAL PHYSICS LETTERS,      [PMID:] [10.1016/j.cplett.2025.142288]