3,5-dichloro-N-(1-chloro-3-methyl-2-oxopentan-3-yl)-4-methylbenzamide

• ChemBase编号: 157436
• 分子式: C14H16Cl3NO2
• 平均质量: 336.64134
• 单一同位素质量: 335.0246618
• SMILES: CCC(C)(C(=O)CCl)NC(=O)c1cc(c(c(c1)Cl)C)Cl
• Canonical SMILES: CCC(C(=O)CCl)(NC(=O)c1cc(Cl)c(c(c1)Cl)C)C
• InChI: InChI=1S/C14H16Cl3NO2/c1-4-14(3,12(19)7-15)18-13(20)9-5-10(16)8(2)11(17)6-9/h5-6H,4,7H2,1-3H3,(H,18,20)
• InChIKey: SOUGWDPPRBKJEX-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 3,5-dichloro-N-(1-chloro-3-methyl-2-oxopentan-3-yl)-4-methylbenzamide
• IUPAC传统名: zoxamide
• 别名: 3,5-二氯-N-(3-氯-1-乙基-1-甲基-2-氧代丙基)-4-甲基苯甲酰胺; 苯酰菌胺; 3,5-Dichloro-N-(3-chloro-1-ethyl-1-methyl-2-oxopropyl)-4-methylbenzamide; Zoxamide; RH 7281; Zoxium; Zoxamide

登记号

• CAS号: 156052-68-5
• MDL号: MFCD03792722
• Beilstein号: 11413911
• PubChem SID: 162251573
• PubChem CID: 122087

理论计算性质

• Acid pKa: 14.608981
• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): 4.6380777
• LogD (pH = 7.4): 4.638078
• Log P: 4.638078
• 摩尔折射率: 82.804 cm^3
• 极化性: 31.725971 Å^3
• 极化表面积: 46.17 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

分子性质

安全信息

• 欧盟危险性物质标志: 环境危害性(Nature polluting) (N); 刺激性(Irritant) (Xi)
• 德国WGK号: 3
• 危险公开号: 43-50/53
• 安全公开号: 24-37-46-60-61
• GHS危险品标识: GHS07; GHS09
• GHS警示词: Warning
• GHS危险声明: H317-H410
• GHS警示性声明: P273-P280-P501
• 个人保护装置: dust mask type N95 (US), Eyeshields, Faceshields, Gloves

产品相关信息

• 级别: PESTANAL®, analytical standard
• Empirical Formula (Hill Notation): C14H16Cl3NO2

详细说明

Sigma Aldrich - 32501

法律信息
PESTANAL 注册商标 Sigma-Aldrich Laborchemikalien GmbH

Toronto Research Chemicals - Z700920

Zoxamide is a fungacide for control of mildew and late bight. Zoxamide was developped for foliar use on potatoes, vines, and vegetables. Zoxamide is able to specifically target Oomycete fungi; Zoxamide exhibits strong preventive activity combined with exc

参考文献

• Duriatti, A. et al.: Phytoma, 557, 52 (2003)
• Egan, A.R. et al.: Bright. Crop Protect. Conf. Pest. Dis., 2, 335 (2003)
• Miller, J.S. et al.: Am. J. Potato Res., 83, 269 (2003)