N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]-1H-imidazole-1-carboxamide

• ChemBase编号: 157638
• 分子式: C15H16Cl3N3O2
• 平均质量: 376.66544
• 单一同位素质量: 375.03080981
• SMILES: CCCN(CCOc1c(cc(cc1Cl)Cl)Cl)C(=O)n1ccnc1
• Canonical SMILES: CCCN(C(=O)n1cncc1)CCOc1c(Cl)cc(cc1Cl)Cl
• InChI: InChI=1S/C15H16Cl3N3O2/c1-2-4-20(15(22)21-5-3-19-10-21)6-7-23-14-12(17)8-11(16)9-13(14)18/h3,5,8-10H,2,4,6-7H2,1H3
• InChIKey: TVLSRXXIMLFWEO-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]-1H-imidazole-1-carboxamide
• IUPAC传统名: prochloraz
• 别名: 咪鲜胺; Prochloraz; N-Propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]-1H-imidazole-1-carboxamide; BTS 40542; BTS 40542-7877; DMI; KI 835; Mirage; N-Propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]imidazole-1-carboxamide; Octave; Prelude; Plocloraz Sportak; Sportake; Prochloraz

登记号

• CAS号: 67747-09-5
• EC号: 266-994-5
• MDL号: MFCD00078735
• Beilstein号: 8155344
• PubChem SID: 162251775; 24869156
• PubChem CID: 73665

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 3.6233294
• LogD (pH = 7.4): 3.6238983
• Log P: 3.6239054
• 摩尔折射率: 90.9924 cm^3
• 极化性: 35.426987 Å^3
• 极化表面积: 47.36 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true

分子性质

安全信息

• RTECS编号: NI4000400
• 欧盟危险性物质标志: 环境危害性(Nature polluting) (N); 有害性(Harmful) (Xn)
• 联合国危险货物编号: 3077
• 德国WGK号: 3
• 联合国危险货物等级: 9
• 联合国危险货物包装类别(PG): 3
• 危险公开号: 22-50/53
• 安全公开号: 60-61
• GHS危险品标识: GHS07; GHS09
• GHS警示词: Warning
• GHS危险声明: H302-H410
• GHS警示性声明: P273-P501
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves
• RID/ADR: UN 3077 9/PG 3
• 保存温度: 2-8°C

产品相关信息

• 级别: certified reference material; PESTANAL®, analytical standard; TraceCERT®
• 有效期: (limited shelf life, expiry date on the label)
• Empirical Formula (Hill Notation): C15H16Cl3N3O2

详细说明

Sigma Aldrich - 64947

General description
Certified content by quantitative NMR incl. uncertainty and expiry are given in the certificate.Download your certificate at: http://www.sigma-aldrich.com.
法律信息
TraceCERT 注册商标 Sigma-Aldrich Co. LLC

Sigma Aldrich - 45631

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

Toronto Research Chemicals - P755280

Plocloraz is used as a fungicide. Plocloraz showed efficacy against cereal powdery mildew.

参考文献

• Riviere, J.-L., et al.: Pestic. Sci., 15, 317 (1984)
• Debrauwer, L., et al.: J. Agric. Food Chem., 49, 3821 (1984)