3-(2-chloropyridin-4-yl)-1-phenylurea

• ChemBase编号: 127470
• 分子式: C12H10ClN3O
• 平均质量: 247.6803
• 单一同位素质量: 247.05123964
• SMILES: c1ccc(cc1)NC(=O)Nc1cc(ncc1)Cl
• Canonical SMILES: O=C(Nc1ccnc(c1)Cl)Nc1ccccc1
• InChI: InChI=1S/C12H10ClN3O/c13-11-8-10(6-7-14-11)16-12(17)15-9-4-2-1-3-5-9/h1-8H,(H2,14,15,16,17)
• InChIKey: GPXLRLUVLMHHIK-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 3-(2-chloropyridin-4-yl)-1-phenylurea; 1-(2-chloropyridin-4-yl)-3-phenylurea
• IUPAC传统名: forchlorfenuron; 1-(2-chloropyridin-4-yl)-3-phenylurea
• 别名: N-(2-氯-4-吡啶基)-N′-苯基脲; 氯吡苯脲; 氯吡苯脲; N-(2-氯-4-吡啶基)-N′-苯基脲; N-(2-Chloro-4-pyridyl)-N′-phenylurea; Forchlorfenuron; 4-CPPU; Forchlorfenuron; N-(2-Chloro-4-pyridyl)-N′-phenylurea; 1-(2-Chloro-4-pyridyl)-3-phenylurea; 4PU30; CN 11-3138; Fulmet; KT 30; N-Phenyl-N'-(2-chloro-4-pyridyl)urea; SKW 20010; Sitofex; V 3183; N-(2-Chloro-4-pyridyl)-N'-phenylurea; CPPU; 4PU30 cpd; Forchlorfenuron; 1-(2-Chloropyridin-4-yl)-3-phenylurea

登记号

• CAS号: 68157-60-8
• MDL号: MFCD00059898
• PubChem SID: 24892531; 162221789
• PubChem CID: 93379
• Chemspider ID: 84301
• KEGG ID: C18604
• 维基百科标题: Forchlorfenuron

理论计算性质

• Acid pKa: 11.169942
• 质子受体: 2
• 质子供体: 2
• LogD (pH = 5.5): 2.7251527
• LogD (pH = 7.4): 2.725134
• Log P: 2.7252047
• 摩尔折射率: 69.762 cm^3
• 极化性: 25.128353 Å^3
• 极化表面积: 54.02 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: DMSO; Methanol
• 外观: White Solid
• 熔点: 168-171°C

安全信息

• 保存条件: -20°C Freezer, Under Inert Atmosphere
• 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: 3
• 危险公开号: 40-51/53
• 安全公开号: 36/37-46-61
• GHS危险品标识: GHS08; GHS09
• GHS警示词: Warning
• GHS危险声明: H351-H411
• GHS警示性声明: P273-P281
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves
• 保存温度: 2-8°C

产品相关信息

• 纯度: 97%
• 级别: PESTANAL®, analytical standard
• 产品线: BioReagent
• Empirical Formula (Hill Notation): C12H10ClN3O

详细说明

Sigma Aldrich - C2791

Application
Forchlorfenuron (CPPU) is a cytokinin that enhances in vitro direct shoot organogenesis of Citrus aurantium L. epicotyl segments.
Biochem/physiol Actions
CPPU is a cytokinin oxidase/dehydrogenase (CKO) inhibitor.

Sigma Aldrich - 32974

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

Toronto Research Chemicals - F691050

Forchlorfenuronis is a diphenylurea-derivative cytokinin. Forchlorfenuronis is used as a plant growth regulator (PGR). Forchlorfenuronis is commonly used in horticulture to stimulate the growth of kiwi fruit and grapes.

参考文献

• Iwahori, S. et al.: Sci. Horticult., 35, 109 (1988)
• Peppi, M.C. et al.: Horscience, 43, 173 (1988)
• Woolley, D. et al.: Acta Horticult., 727, 291 (1988)