1-[(2,4-dichlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid

• ChemBase编号: 157227
• 分子式: C11H9Cl2NO3
• 平均质量: 274.10006
• 单一同位素质量: 272.99594851
• SMILES: c1cc(c(cc1Cl)Cl)NC(=O)C1(CC1)C(=O)O
• Canonical SMILES: Clc1ccc(c(c1)Cl)NC(=O)C1(CC1)C(=O)O
• InChI: InChI=1S/C11H9Cl2NO3/c12-6-1-2-8(7(13)5-6)14-9(15)11(3-4-11)10(16)17/h1-2,5H,3-4H2,(H,14,15)(H,16,17)
• InChIKey: GLWWLNJJJCTFMZ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-[(2,4-dichlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid
• IUPAC传统名: 1-[(2,4-dichlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid
• 别名: 1-(2,4-二氯苯氨基羰基)环丙羧酸; 环丙酸酰胺; 1-[(2,4-Dichlorophenyl)aminocarbonyl]-1-cyclopropanecarboxylic acid; Cyclanilide; 1-[[(2,4-Dichlorophenyl)amino]carbonyl]cyclopropanecarboxylic Acid; RPA 90946; Cyclanilide

登记号

• CAS号: 113136-77-9
• EC号: 419-150-7
• MDL号: MFCD03792791
• PubChem SID: 162251364
• PubChem CID: 11097730

理论计算性质

• Acid pKa: 3.3910275
• 质子受体: 3
• 质子供体: 2
• LogD (pH = 5.5): 0.85039705
• LogD (pH = 7.4): -0.45862046
• Log P: 2.9465487
• 摩尔折射率: 64.148 cm^3
• 极化性: 24.44154 Å^3
• 极化表面积: 66.4 Å^2
• 可自由旋转的化学键: 3
• 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)
• 德国WGK号: 2
• 危险公开号: 22-51/53
• 安全公开号: 61
• GHS危险品标识: GHS07; GHS09
• GHS警示词: Warning
• GHS危险声明: H302-H411
• GHS警示性声明: P273
• 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): C11H9Cl2NO3

详细说明

Sigma Aldrich - 32871

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

Toronto Research Chemicals - C987765

Cyclanilide is a plant growth regulator that functions by interactting with auxin-regulated processes. Cyclanilide is commonly used on cotton plants to either suppress vegetative growth or accelerate senescence. Cyclanilide is also used as a bioregulator

参考文献

• Burton, J. et al.: Proc. Plant Growth Reg. Soc. Am., 36, 56 (2009)
• Burton, J. et al.: J. Plant Growth Reg., 27, 342 (2009)
• Elfving, D.C. et al.: Act Horticul., 884, 159 (2009)