1-[2-(2,4-dichlorophenyl)-2-(prop-2-en-1-yloxy)ethyl]-1H-imidazole; sulfuric acid

• ChemBase编号: 157483
• 分子式: C14H16Cl2N2O5S
• 平均质量: 395.25824
• 单一同位素质量: 394.01569798
• SMILES: C=CCOC(Cn1ccnc1)c1ccc(cc1Cl)Cl.OS(=O)(=O)O
• Canonical SMILES: OS(=O)(=O)O.C=CCOC(c1ccc(cc1Cl)Cl)Cn1cncc1
• InChI: InChI=1S/C14H14Cl2N2O.H2O4S/c1-2-7-19-14(9-18-6-5-17-10-18)12-4-3-11(15)8-13(12)16;1-5(2,3)4/h2-6,8,10,14H,1,7,9H2;(H2,1,2,3,4)
• InChIKey: XVTXMTOYQVRHSK-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-[2-(2,4-dichlorophenyl)-2-(prop-2-en-1-yloxy)ethyl]-1H-imidazole; sulfuric acid
• IUPAC传统名: imazalil; sulfuric acid
• 别名: 1-[2-(烯丙氧基)乙基-2-(2,4-二氯苯基)]-1H-咪唑硫酸盐; 恩康唑硫酸盐; 抑霉唑硫酸盐; 1-[2-(2,4-Dichlorophenyl)-2-(2-propenyloxy)ethyl]-1H-imidazole sulfate; Enilconazole sulfate; Imazalil sulfate; 1-[2-(2,4-Dichlorophenyl)-2-(2-propen-1-yloxy)ethyl]-1H-imidazole Sulfate; Chloramizol Sulfate; Microban Additive IF 4; R 27180; Imazalil Sulfate

登记号

• CAS号: 58594-72-2; 58594-72-2
• EC号: 261-351-5
• MDL号: MFCD00186378
• PubChem SID: 162251620; 24860752
• PubChem CID: 173636

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 3.224851
• LogD (pH = 7.4): 3.689347
• Log P: 3.7550557
• 摩尔折射率: 78.0081 cm^3
• 极化性: 30.066034 Å^3
• 极化表面积: 27.05 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

• 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: 22-43-50/53
• 安全公开号: 24/25-37-46-60-61
• GHS危险品标识: GHS07; GHS09
• GHS警示词: Warning
• GHS危险声明: H302-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
• RID/ADR: UN 3077 9/PG 3

产品相关信息

• 级别: PESTANAL®, analytical standard
• Empirical Formula (Hill Notation): C14H14Cl2N2O · H2SO4

详细说明

Sigma Aldrich - 33997

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

Toronto Research Chemicals - I268500

Imazalil Sulfate is an imidazole derivative used as a fungicide. Imazalil Sulfate controlled epidermis anthracnosis caused by Colletotrichum musae and crown rot in harvested bananas. Imazalil Sulfate is used for fungal protection of citrus fruits such as

参考文献

• Frossard, P. et al.: Fruits, 361 (1976)
• Van Gestel, J. et al.: Plant Dis. Rep., 63, 283 (1976)
• Laencina, J. et al.: EFCE Pub. Ser., 12, 295 (1976)
• Coppens, L. et al.: Meded. Fac. Landbouw. Uni. Gent., 49, 351 (1976)