CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Amber liquid; [Hawley] |
|---|---|
| Color/Form | Viscous amber liquid |
| Odor | Slightly musty straw odor |
| Boiling Point | 156-157 °C @ 20 mm Hg |
| Melting Point | Decomposes at 208 °C |
| Flash Point | 71.1 C / 160 F |
| Solubility | Solubility: 3-5 g/100 ml in acetonitrile, 5-10 g/100 ml in hexane, and 5-10 g/100 ml in methanol |
| Density | 1.18 g/cu cm |
| LogP | log Kow = 4.31 (pH 5, 7, 9; 21 °C) |
| Stability/Shelf Life | Stable to heat, to metal and metal ions for 28 days at 50 °C and stable in storage at room temperature up to about seven years. |
| pH | A 50% slurry has a pH of 9.0 |
| Dissociation Constants | pKa = 8.9 (in 66% DMF) |
| Other Experimental Properties | 71.1 °C (freezing point) |
| Chemical Classes | Pesticides -> Fungicides |
COMPUTED DESCRIPTORS
| Molecular Weight | 330.2 g/mol |
|---|---|
| XLogP3 | 4.7 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 6 |
| Exact Mass | 329.0949343 g/mol |
| Monoisotopic Mass | 329.0949343 g/mol |
| Topological Polar Surface Area | 29.5 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 340 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
3-(2-methylpiperidin-1-yl)propyl 3,4-dichlorobenzoate is a member of the class of piperidines that is 2-methylpiperidine in which the hydrogen attached to the nitrogen is replaced by a 3-[(3,4-dichlorobenzoyl)oxy]propyl group. It is a member of piperidines, a tertiary amino compound, a benzoate ester and a dichlorobenzene. It is functionally related to a 3,4-dichlorobenzoic acid.