Lactofen
[CAS# 83513-60-4]

Identification

• Name: Lactofen
• Synonyms: (2-Ethoxy-1-Methyl-2-Oxo-Ethyl) 5-[2-Chloro-4-(Trifluoromethyl)Phenoxy]-2-Nitro-Benzoate; 5-[2-Chloro-4-(Trifluoromethyl)Phenoxy]-2-Nitrobenzoic Acid (2-Ethoxy-1-Methyl-2-Oxoethyl) Ester; 5-[2-Chloro-4-(Trifluoromethyl)Phenoxy]-2-Nitro-Benzoic Acid (2-Ethoxy-2-Keto-1-Methyl-Ethyl) Ester
• Molecular Formula: C₁₉H₁₅ClF₃NO₇
• Molecular Weight: 461.78
• CAS Registry Number: 83513-60-4
• SMILES: C2=C(OC1=C(C=C(C(F)(F)F)C=C1)Cl)C=CC(=C2C(OC(C(OCC)=O)C)=O)[N+](=O)[O-]
• InChI: 1S/C19H15ClF3NO7/c1-3-29-17(25)10(2)30-18(26)13-9-12(5-6-15(13)24(27)28)31-16-7-4-11(8-14(16)20)19(21,22)23/h4-10H,3H2,1-2H3
• InChIKey: CONWAEURSVPLRM-UHFFFAOYSA-N

Properties

• Density: 1.42g/cm³ (Cal.)
• Boiling point: 493.989°C at 760 mmHg (Cal.)
• Flash point: 252.556°C (Cal.)

References

• (1): Kristina Grabowski, Karl-Heinz Baringhaus and Gisbert Schneider. Scaffold diversity of natural products: inspiration for combinatorial library design, Nat. Prod. Rep., 2008, 25, 892.