Chloropropylate
[CAS# 5836-10-2]

Identification

• Classification: Chemical pesticide >> Insecticide >> Acaricide
• Name: Chloropropylate
• Synonyms: Isopropyl 2,2-Bis(4-Chlorophenyl)-2-Hydroxy-Acetate; 2,2-Bis(4-Chlorophenyl)-2-Hydroxyacetic Acid Isopropyl Ester; 2,2-Bis(4-Chlorophenyl)-2-Hydroxy-Acetic Acid Isopropyl Ester
• Molecular Formula: C₁₇H₁₆Cl₂O₃
• Molecular Weight: 339.22
• CAS Registry Number: 5836-10-2
• EINECS: 227-421-4
• SMILES: C1=CC(=CC=C1C(C2=CC=C(C=C2)Cl)(C(OC(C)C)=O)O)Cl
• InChI: 1S/C17H16Cl2O3/c1-11(2)22-16(20)17(21,12-3-7-14(18)8-4-12)13-5-9-15(19)10-6-13/h3-11,21H,1-2H3
• InChIKey: AXGUBXVWZBFQGA-UHFFFAOYSA-N

Properties

• Density: 1.3g/cm³ (Cal.)
• Boiling point: 457.679°C at 760 mmHg (Cal.)
• Flash point: 230.596°C (Cal.)

References

• (1): Igor V. Tetko, Vsevolod Yu. Tanchuk, Tamara N. Kasheva, and Alessandro E. P. Villa. Estimation of Aqueous Solubility of Chemical Compounds Using E-State Indices, J. Chem. Inf. Comput. Sci., 2001, 41 (6), pp 1488–1493