5-chloro-1,3-benzoxazol-2-ol

• ChemBase编号: 164721
• 分子式: C7H4ClNO2
• 平均质量: 169.56516
• 单一同位素质量: 168.99305605
• SMILES: c1c(cc2c(c1)oc(n2)O)Cl
• Canonical SMILES: Clc1ccc2c(c1)nc(o2)O
• InChI: InChI=1S/C7H4ClNO2/c8-4-1-2-6-5(3-4)9-7(10)11-6/h1-3H,(H,9,10)
• InChIKey: TZFWDZFKRBELIQ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 5-chloro-1,3-benzoxazol-2-ol
• IUPAC传统名: parafon
• 别名: 4-Bromo-2-(p-chlorophenyl)-1-(ethoxymethyl)-5-(trifluoromethyl)pyrrole-3-carbonitrile; AC 303-630; AC 303630; CL 303630; Chlorfenapyr; Citrex (acaricide); Kotetsu; Mystox MP; Phantom; Pirate 3F; Pylon; Rampage; Secure 360SC Insecticide-Miticide; Stealth; Chlorfenapyr

登记号

• CAS号: 122453-73-0
• PubChem SID: 162258856
• PubChem CID: 2733

理论计算性质

• Acid pKa: 7.02341
• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): 2.2923524
• LogD (pH = 7.4): 1.8195919
• Log P: 2.3045948
• 摩尔折射率: 38.9821 cm^3
• 极化性: 16.33028 Å^3
• 极化表面积: 46.26 Å^2
• 可自由旋转的化学键: 0
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: Chloroform; Methanol
• 外观: Off-White Solid
• 熔点: 100-102°C

安全信息

• 保存条件: Refrigerator

详细说明

Toronto Research Chemicals - C428500

Chlorfenapyr is a halogenated pyrrole based pro-insecticide. Chlorfenapyr functions by metabolizing into an active insecticide after entering the host. Chlorfenapyr is used primarily as a means of pest control on cotton.

参考文献

• Lovell, J.B. et al.: Bright. Crop Prot. Pests Dis., 1, 37 (1990)
• Wier, A.T. et al.: J. Agric. Entemol., 11, 311 (1990)
• Black, B.C. et al.: Pest. Biochem. Physiol., 50, 115 (1990)