1-{[2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolan-2-yl]methyl}-1H-1,2,4-triazole

• ChemBase编号: 129130
• 分子式: C15H17Cl2N3O2
• 平均质量: 342.22038
• 单一同位素质量: 341.06978216
• SMILES: Clc1ccc(c(Cl)c1)C1(OCC(O1)CCC)Cn1ncnc1
• Canonical SMILES: CCCC1COC(O1)(Cn1cncn1)c1ccc(cc1Cl)Cl
• InChI: InChI=1S/C15H17Cl2N3O2/c1-2-3-12-7-21-15(22-12,8-20-10-18-9-19-20)13-5-4-11(16)6-14(13)17/h4-6,9-10,12H,2-3,7-8H2,1H3
• InChIKey: STJLVHWMYQXCPB-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-{[2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolan-2-yl]methyl}-1H-1,2,4-triazole
• IUPAC传统名: propiconazole
• 别名: 丙唑灵; 丙环唑; 丙唑灵; 丙环唑 溶液; Propiconazole; Propiconazole; Tilt; Propiconazole; Propiconazole solution; 1-[[2-(2,4-Dichlorophenyl)-4-propyl-1,3-dioxolan-2-yl]methyl]-1H-1,2,4-triazole; Bamper; Bamper 25EC; Banner Maxx; Binghuanzuo; Desmel; Dhan; Proconazole; Radar; Tilt; Wocosen; Wocosin 50TK

登记号

• CAS号: 60207-90-1
• EC号: 262-104-4; 200-659-6
• MDL号: MFCD00055299
• Beilstein号: 9349305
• PubChem SID: 24899111; 24869177; 162223429; 24869362
• PubChem CID: 43234
• CHEBI ID: 8489
• CHEMBL: 560579
• Chemspider ID: 39402
• KEGG ID: C11121
• 美国药典/FDA物质标识码: 142KW8TBSR
• 维基百科标题: Propiconazole

理论计算性质

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 4.325304
• LogD (pH = 7.4): 4.325521
• Log P: 4.325524
• 摩尔折射率: 96.8647 cm^3
• 极化性: 33.13595 Å^3
• 极化表面积: 49.17 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: 100 ppm at 20 °C in water
• 沸点: 180 °C at 0.1 mmHg
• 闪点: 11 °C; 51.8 °F

安全信息

• RTECS编号: XZ4620000
• 欧盟危险性物质标志: 易燃性(Flammable) (F); 环境危害性(Nature polluting) (N); 有毒(Toxic) (T); 有害性(Harmful) (Xn)
• 联合国危险货物编号: 1230
• 德国WGK号: 1; 3
• 联合国危险货物等级: 3
• 联合国危险货物包装类别(PG): 2
• 危险公开号: 11-23/24/25-39/23/24/25; 22-43-50/53
• 安全公开号: 36/37-46-60-61; 7-16-36/37-45
• GHS危险品标识: GHS02; GHS06; GHS07; GHS08; GHS09
• GHS警示词: Danger; Warning
• GHS危险声明: H225-H301-H311-H331-H370; H302-H317-H410
• GHS警示性声明: P210-P260-P280-P301 + P310-P311; P273-P280-P501
• 个人保护装置: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US); Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1230 3/PG 2
• 保存温度: 2-8°C

产品相关信息

• 浓度: 100 ng/μL in methanol
• 级别: analytical standard; PESTANAL®, analytical standard
• 包装: ampule of 250 mg
• 简要说明: mixture of stereo isomers
• Empirical Formula (Hill Notation): C15H17Cl2N3O2

详细说明

Sigma Aldrich - 45899

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

Sigma Aldrich - 45642

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

Toronto Research Chemicals - P770100

Propiconazole is a systemic foliar fungicide. Agricultural fungicide.

参考文献

• Child, R., et al.: Plant Growth Regul., 13, 203 (1993)
• Jaleel, C., et al.: Plant Sci., 171, 271 (1993)
• Jaleel, C., et al.: Pestic Biochem. Physiol., 91, 170 (1993)