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

• ChemBase编号: 160704
• 分子式: C9H5Cl3N4
• 平均质量: 275.5218
• 单一同位素质量: 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

名称和登记号

名称

• IUPAC标准名: 4,6-dichloro-N-[2-chloro(^2H₄)phenyl]-1,3,5-triazin-2-amine
• IUPAC传统名: 4,6-dichloro-N-[2-chloro(^2H₄)phenyl]-1,3,5-triazin-2-amine
• 别名: 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

登记号

• PubChem SID: 162254839
• PubChem CID: 71313439

理论计算性质

• Acid pKa: 10.494026
• 质子受体: 4
• 质子供体: 1
• LogD (pH = 5.5): 4.395585
• LogD (pH = 7.4): 4.395248
• Log P: 4.3955894
• 摩尔折射率: 66.7558 cm^3
• 极化性: 24.423485 Å^3
• 极化表面积: 50.7 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

详细说明

Toronto Research Chemicals - A659802

Pesticide used to control fungus diseases in lawns and turf.

参考文献

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