CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | White to off-white solid; [Merck Index] Colorless solid; [HSDB] |
|---|---|
| Color/Form | White to off-white crystalline solid |
| Boiling Point | 180 °C (decomposes) |
| Melting Point | 173 °C |
| Solubility | In acetone 48.2, methanol 105, tolulene 5, dichloromethane 185, isopropanol 17, heptane 0.9 (all in g/L, 25 °C) |
| Density | 1.10 to 1.12 at 21 °C |
| LogP | log Kow = 1.49 (pH 7); 1.04 (pH 5): 1.20 (pH 9), all at 25 °C |
| Stability/Shelf Life | Rapidly degraded in sunlight, DT50 about 2.1 days (pH 7, 22-24 °C) |
| Dissociation Constants | pK1 = 2.1; pK2 = 3.9 |
| Other Experimental Properties | Clear dark brown or green liquid; musty odor /Pursuit/ |
| Chemical Classes | Pesticides -> Herbicides, Imidazolinone |
COMPUTED DESCRIPTORS
| Molecular Weight | 289.33 g/mol |
|---|---|
| XLogP3 | 2 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 289.14264148 g/mol |
| Monoisotopic Mass | 289.14264148 g/mol |
| Topological Polar Surface Area | 91.6 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 475 |
| 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
Imazethapyr is an aromatic carboxylic acid and a member of pyridines.