1-chloro-2-[(1-chloropropan-2-yl)oxy]propane

• ChemBase编号: 162249
• 分子式: C6H12Cl2O
• 平均质量: 171.06488
• 单一同位素质量: 170.02652036
• SMILES: ClCC(OC(CCl)C)C
• Canonical SMILES: ClCC(OC(CCl)C)C
• InChI: InChI=1S/C6H12Cl2O/c1-5(3-7)9-6(2)4-8/h5-6H,3-4H2,1-2H3
• InChIKey: QCFYJCYNJLBDRT-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-chloro-2-[(1-chloropropan-2-yl)oxy]propane
• IUPAC传统名: 1-chloro-2-[(1-chloropropan-2-yl)oxy]propane
• 别名: 2,2'-Dichlorodiisopropyl Ether; 2,2'-Oxybis(1-chloropropane); Bis(1-chloro-2-propyl) Ether; Bis(2-chloro-1-methylethyl) Ether; DCIP (nematocide); NSC 2849; β,β'-Dichlorodiisopropyl Ether; Bis(2-chloroisopropyl) Ether

登记号

• CAS号: 108-60-1
• PubChem SID: 162256384
• PubChem CID: 7944

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 2.2866793
• LogD (pH = 7.4): 2.2866793
• Log P: 2.2866793
• 摩尔折射率: 40.5367 cm^3
• 极化性: 16.186695 Å^3
• 极化表面积: 9.23 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

详细说明

Toronto Research Chemicals - B419020

Bis(2-chloroisopropyl) Ether is an organochlorine pesticide. Bis(2-chloroisopropyl) Ether is used as a nematicide to control parasitic nematodes in agriculture.

参考文献

• Chiyonishio, T. et al.: Tott.-ken Nog. Shik. Ken. Hok., 13, 29 (1973)
• Moreno Horn, M. et al.: 179, 234 (1973)