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

• ChemBase ID: 162249
• Molecular Formular: C6H12Cl2O
• Molecular Mass: 171.06488
• Monoisotopic Mass: 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

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-chloro-2-[(1-chloropropan-2-yl)oxy]propane
• IUPAC Traditional name: 1-chloro-2-[(1-chloropropan-2-yl)oxy]propane
• Synonyms: 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

Database IDs

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

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.2866793
• LogD (pH = 7.4): 2.2866793
• Log P: 2.2866793
• Molar Refractivity: 40.5367 cm^3
• Polarizability: 16.186695 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

DETAILS

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.

REFERENCES

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