4,6-dichloro-N-[2-chloro(2H4)phenyl]-1,3,5-triazin-2-amine

• ChemBase ID: 160704
• Molecular Formular: C9H5Cl3N4
• Molecular Mass: 275.5218
• Monoisotopic Mass: 273.95797922
• SMILES: c1(nc(nc(n1)Nc1c(cccc1)Cl)Cl)Cl
• Canonical SMILES: Clc1nc(nc(n1)Cl)Nc1ccccc1Cl
• InChI: InChI=1S/C9H5Cl3N4/c10-5-3-1-2-4-6(5)13-9-15-7(11)14-8(12)16-9/h1-4H,(H,13,14,15,16)
• InChIKey: IMHBYKMAHXWHRP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,6-dichloro-N-[2-chloro(^2H₄)phenyl]-1,3,5-triazin-2-amine
• IUPAC Traditional name: 4,6-dichloro-N-[2-chloro(^2H₄)phenyl]-1,3,5-triazin-2-amine
• Synonyms: 4,6-Dichloro-N-(2-chlorophenyl)-1,3,5-triazin-2-amine-d4; 2,4-Dichloro-6-(2-chloranilino)-s-triazine-d4; Aniyaline-d4; B 622-d4; Bortrysan-d4; Dyrene-d4; Dyrene 50W-d4; Dyrene Flussig-d4; Kemate-d4; NSC 3851-d4; Triazin-d4; Triazine-d4; Zinochlor-d4; Anilazine-d4

Database IDs

• PubChem SID: 162254839
• PubChem CID: 71313439

CALCULATED PROPERTIES

• Acid pKa: 10.494026
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 4.395585
• LogD (pH = 7.4): 4.395248
• Log P: 4.3955894
• Molar Refractivity: 66.7558 cm^3
• Polarizability: 24.423485 Å^3
• Polar Surface Area: 50.7 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

DETAILS

Toronto Research Chemicals - A659802

Pesticide used to control fungus diseases in lawns and turf.

REFERENCES

• Didikolu, L., et al.: J. Vet. Pharmacol., Ther., 32, 368 (2009)
• Liu, Bi., et al.: J. Agric. Food Chem., 58, 2673 (2009)