3,5,6-Trichloro-[1,2,4]triazine - ≥97% , CAS No.873-41-6

CAS: 873-41-6 Cat. No.: T332710 Molecular Weight: 184.41 EC Number: 816-871-2 PubChem CID: 12262403

GRADE & PURITY ≥97%

Synonyms

1,2,4-Triazine, 3,5,6-trichloro- | SY039197 | 3,5,6-Trichloro-(1,2,4)triazine | FT-0691995 | MFCD09033774 | SCHEMBL746498 | A848268 | EN300-111347 | trichloro-1,2,4-triazine | DTXSID50482953 | AKOS006332089 | 3,5,6-TRICHLORO-[1,2,4]TRIAZINE | BS-13151 | 3

Storage

Store at -20°C,Argon charged,Desiccated

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

1, 2, 4-Triazine, 3, 5, 6-trichloro- | SY039197 | 3, 5, 6-Trichloro-(1, 2, 4)triazine | FT-0691995 | MFCD09033774 | SCHEMBL746498 | A848268 | EN300-111347 | trichloro-1, 2, 4-triazine | DTXSID50482953 | AKOS006332089 | 3, 5, 6-TRICHLORO-[1, 2, 4]TRIAZINE | BS-13151 | 3

Specifications & Purity

≥97%

Storage

Store at -20°C, Argon charged, Desiccated

Shipped In

Ice chest + Ice pads

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

Purity

≥97%

Names and Identifiers

• Canonical Smiles: C1(=C(N=NC(=N1)Cl)Cl)Cl
• IUPAC Name: 3,5,6-trichloro-1,2,4-triazine
• InChIKey: YHKUFWFVZIIVDL-UHFFFAOYSA-N
• INCHI: 1S/C3Cl3N3/c4-1-2(5)8-9-3(6)7-1
• Isomeric SMILES: C1(=C(N=NC(=N1)Cl)Cl)Cl
• PubChem CID: 12262403
• Molecular Weight: 184.41

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Triazines
      • Subclass 1,2,4-triazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Triazines
• Subclass: 1,2,4-triazines
• Intermediate Tree Nodes: Not available
• Direct Parent: 1,2,4-triazines
• Alternative Parents: Aryl chlorides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 1,2,4-triazine - Aryl halide - Aryl chloride - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as 1,2,4-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 4.
• 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

Chemical and Physical Properties

• Sensitivity: Moisture sensitive
• Refractive Index: n20D1.59 (Predicted)
• Boil Point(°C): ~337.3° C at 760 mmHg (Predicted)
• Melt Point(°C): 85.98° C (Predicted)
• Molecular Weight: 184.410 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 182.916 Da
• Monoisotopic Mass: 182.916 Da
• Topological Polar Surface Area: 38.700 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 100.000
• 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. Zhaoyong Gao, Benzhi Ju, Bingtao Tang, Wei Ma, Wenbin Niu, Shufen Zhang.  (2025)  Stable and recyclable straw cellulose-based anion exchanger for sustainable textile dyeing wastewater treatment.  INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES,      [PMID:40618805] [10.1016/j.ijbiomac.2025.145787]