240494-70-6
Product Name:
[2,3,5,6-tetrafluoro-4-(methoxymethyl)phenyl]methyl 2,2-dimethyl-3-pro p-1-enyl-cyclopropane-1-carboxylate
Formula:
C18H20F4O3
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Color/Form | Pale yellow liquid |
|---|---|
| Boiling Point | 334 °C at atmospheric pressure |
| Solubility | Solvent solubility (20 to 25 °C; g/L): acetone 303.4; methanol 312.2; ethyl acetate 307.6; toluene 326.9; n-hexanes 328.7; dichloromethane 318.9; n-octanol 325.1; isopropyl alcohol 313.2 |
| Density | 1.21 at 20 °C |
| Vapor Pressure | 1.47X10-5 Torr /SRC: 1.47X10-5 mm Hg / at 25 °C |
| LogP | log Kow = 4.97-5.03 at 25 °C |
| Optical Rotation | Specific optical rotation: -23.7 deg at 20 °C/D (c = 0.02, ethanol) |
| pH | pH = 5.24 at 25 °C (1% aqueous solution) |
| Other Experimental Properties | Physicochemical data refer to a mixture with composition 93.0-98.8% metofluthrin; >95% (1R)-isomers, >98% trans-isomers, >86% (Z)-isomers /Technical/ |
COMPUTED DESCRIPTORS
| Molecular Weight | 360.3 g/mol |
|---|---|
| XLogP3 | 3.7 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 7 |
| Exact Mass | 360.13485714 g/mol |
| Monoisotopic Mass | 360.13485714 g/mol |
| Topological Polar Surface Area | 35.5 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 495 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Metofluthrin is a carboxylic ester. It is functionally related to a benzyl alcohol.