1,2,3-Triazine - ≥95% , CAS No.289-96-3

CAS: 289-96-3 Cat. No.: T169308 Molecular Weight: 81.08 EC Number: 808-989-8

GRADE & PURITY ≥95%

Synonyms

1,2,3-Triazine, >=95% | Triazine | 1,2,3-Triazine | CHEBI:38058 | 1,2,3-Triazabenzene | EINECS 235-754-1 | JYEUMXHLPRZUAT-UHFFFAOYSA-N | InChI=1/C3H3N3/c1-2-4-6-5-3-1/h1-3 | [1,2,3]triazine | EN300-303719 | (1,2,3)triazine | DTXSID6075308 | Q27117364

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

1, 2, 3-Triazine, >=95% | Triazine | 1, 2, 3-Triazine | CHEBI:38058 | 1, 2, 3-Triazabenzene | EINECS 235-754-1 | JYEUMXHLPRZUAT-UHFFFAOYSA-N | InChI=1/C3H3N3/c1-2-4-6-5-3-1/h1-3 | [1, 2, 3]triazine | EN300-303719 | (1, 2, 3)triazine | DTXSID6075308 | Q27117364

Specifications & Purity

≥95%

Storage

Store at -20°C

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

• Canonical Smiles: C1=CN=NN=C1
• IUPAC Name: triazine
• InChIKey: JYEUMXHLPRZUAT-UHFFFAOYSA-N
• INCHI: 1S/C3H3N3/c1-2-4-6-5-3-1/h1-3H
• Isomeric SMILES: C1=CN=NN=C1
• WGK Germany: 3
• Molecular Weight: 81.08

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Triazines
      • Subclass 1,2,3-triazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Triazines
• Subclass: 1,2,3-triazines
• Intermediate Tree Nodes: Not available
• Direct Parent: 1,2,3-triazines
• Alternative Parents: Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 1,2,3-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 1,2,3-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, 2, and 3.
• External Descriptors: 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

Chemical and Physical Properties

• Melt Point(°C): 70 - 71℃
• Molecular Weight: 81.080 g/mol
• XLogP3: -0.700
• 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: 33.000
• 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

References

1. Jian Li, Haiyang Zhang, Haixia Liang, Linfeng Li, Jinli Zhang.  (2022)  High-efficiency catalysis of Ru-based catalysts assisted by triazine-based ligands containing different heteroatoms (N, O, S) for acetylene hydrochlorination.  Molecular Catalysis,      [PMID:] [10.1016/j.mcat.2022.112142]

2. Chunjing Zhang, Shihui Si, Zhengpeng Yang.  (2015)  Design of molecularly imprinted TiO2/carbon aerogel electrode for the photoelectrochemical determination of atrazine.  SENSORS AND ACTUATORS B-CHEMICAL,      [PMID:] [10.1016/j.snb.2015.01.079]

3. Chunjing Zhang, Jinlong Yan, Chunxiao Zhang, Zhengpeng Yang.  (2012)  Enhanced adsorption of atrazine from aqueous solution by molecularly imprinted TiO2 film.  SOLID STATE SCIENCES,      [PMID:] [10.1016/j.solidstatesciences.2012.04.023]