Cas no 15640-05-8 (1,3,5-Triazine,2,4-dimethyl-6-(trichloromethyl)-)

1,3,5-Triazine,2,4-dimethyl-6-(trichloromethyl)- structure
15640-05-8 structure
Product Name:1,3,5-Triazine,2,4-dimethyl-6-(trichloromethyl)-
CAS No:15640-05-8
MF:C6H6Cl3N3
MW:226.490937709808
CID:229147
Update Time:2024-01-26

1,3,5-Triazine,2,4-dimethyl-6-(trichloromethyl)- Chemical and Physical Properties

Names and Identifiers

    • 1,3,5-Triazine,2,4-dimethyl-6-(trichloromethyl)-
    • 2,4-DIMETHYL-6-TRICHLOROMETHYL-S-TRIAZINE
    • 1,3,5-Triazine, 2,4-dimethyl-6-(trichloromethyl)-
    • Inchi: 1S/C6H6Cl3N3/c1-3-10-4(2)12-5(11-3)6(7,8)9/h1-2H3
    • InChI Key: HOZNAODMOJEDCI-UHFFFAOYSA-N
    • SMILES: N1=C(C(Cl)(Cl)Cl)N=C(C)N=C1C

Computed Properties

  • Exact Mass: 224.96298
  • Monoisotopic Mass: 224.963
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 0
  • Complexity: 149
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 38.7A^2

Experimental Properties

  • Density: 1.48
  • Boiling Point: 312.2°C at 760 mmHg
  • Flash Point: 171.7°C
  • Refractive Index: 1.556
  • PSA: 38.67
  • pka: 1.52±0.10(Predicted)

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