(2,4,5-Trichlorophenoxy)acetic acid n-butyl ester
[CAS# 93-79-8]

Identification

• Classification: Chemical pesticide >> Insecticide >> Organochlorine insecticide
• Name: (2,4,5-Trichlorophenoxy)acetic acid n-butyl ester
• Synonyms: 2-(2,4,5-Trichlorophenoxy)Acetic Acid Butyl Ester; Butyl 2-(2,4,5-Trichlorophenoxy)Ethanoate; Butyl(2,4,5-Trichlorophenoxy) Acetate
• Molecular Formula: C₁₂H₁₃Cl₃O₃
• Molecular Weight: 311.59
• CAS Registry Number: 93-79-8
• EINECS: 202-277-5
• SMILES: C1=C(Cl)C(=CC(=C1OCC(OCCCC)=O)Cl)Cl
• InChI: 1S/C12H13Cl3O3/c1-2-3-4-17-12(16)7-18-11-6-9(14)8(13)5-10(11)15/h5-6H,2-4,7H2,1H3
• InChIKey: FNEXNZUHBCBQTI-UHFFFAOYSA-N

Properties

• Density: 1.324g/cm³ (Cal.)
• Boiling point: 371.924°C at 760 mmHg (Cal.)
• Flash point: 142.165°C (Cal.)

References

• (1): Raymond Ziessel and Anthony Harriman. Artificial light-harvesting antennae: electronic energy transfer by way of molecular funnels, Chem. Commun., 2011, 47, 611.