2,4-Dichloro-1,3,5-triazine - ≥98% , CAS No.2831-66-5

CAS: 2831-66-5 Cat. No.: D155511 Molecular Weight: 149.96 EC Number: 676-236-9

GRADE & PURITY ≥98%

Synonyms

2, 4-dichloro-1, 3, 5-triazine | 2,6-dichloro-1,3,5-triazine | PS-4865 | DTXSID10274598 | FT-0645176 | AM20090359 | Z1201622881 | 1,3,5-TRIAZINE, 2,4-DICHLORO- | BCP22466 | J-507110 | PB20114 | AC-2953 | EN300-98635 | MFCD04115347 | 2,4-dichlor-[1,3,5]tri

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

2, 4-dichloro-1, 3, 5-triazine | 2, 6-dichloro-1, 3, 5-triazine | PS-4865 | DTXSID10274598 | FT-0645176 | AM20090359 | Z1201622881 | 1, 3, 5-TRIAZINE, 2, 4-DICHLORO- | BCP22466 | J-507110 | PB20114 | AC-2953 | EN300-98635 | MFCD04115347 | 2, 4-dichlor-[1, 3, 5]tri

Specifications & Purity

≥98%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

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

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488182414
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488182414
• Canonical Smiles: C1=NC(=NC(=N1)Cl)Cl
• IUPAC Name: 2,4-dichloro-1,3,5-triazine
• InChIKey: OMRXVBREYFZQHU-UHFFFAOYSA-N
• INCHI: 1S/C3HCl2N3/c4-2-6-1-7-3(5)8-2/h1H
• Isomeric SMILES: C1=NC(=NC(=N1)Cl)Cl
• Molecular Weight: 149.96
• Reaxy-Rn: 113524
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=113524&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Triazines
      • Subclass 1,3,5-triazines
        • Level5 Halo-S-triazines
          • Level6 Chloro-s-triazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Triazines
• Subclass: 1,3,5-triazines
• Intermediate Tree Nodes: Halo-S-triazines
• Direct Parent: Chloro-s-triazines
• Alternative Parents: Aryl chlorides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Chloro-s-triazine - Aryl halide - Aryl chloride - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as chloro-s-triazines. These are aromatic compounds containing a 1,3,5-triazine ring that is substituted at the 2-position with a chlorine atom.
• 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

• Solubility: Solubility in methanol
• Sensitivity: Moisture sensitive
• Boil Point(°C): 102°C/75mmHg(lit.)
• Melt Point(°C): 54-58℃
• Molecular Weight: 149.960 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 148.955 Da
• Monoisotopic Mass: 148.955 Da
• Topological Polar Surface Area: 38.700 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 70.900
• 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. Zhang Zhizhong, Li Liang, An Duo, Li Hanxue, Zhang Xinghua.  (2019)  Triazine-based covalent organic polycalix[4]arenes for highly efficient and reversible iodine capture in water.  JOURNAL OF MATERIALS SCIENCE,  55  (4): (1854-1864).  [PMID:] [10.1007/s10853-019-04164-6]