CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Colorless or white solid; [ICSC] Odor like garlic; [HSDB] White crystals; [MSDSonline] |
|---|---|
| Color/Form | Crystals |
| Odor | Garlic |
| Melting Point | 47.5-48 °C |
| Flash Point | 100 °C c.c. |
| Solubility | Sol in ketones, alcohols and most aromatic solvents; practically insol in aliphatic hydrocarbons |
| Density | 1.338 g/mL at 20 °C |
| Vapor Pressure | 0.00000005 [mmHg] |
| LogP | log Kow = 4.38 |
| Stability/Shelf Life | Stable under normal laboratory conditions for a period of 2 years. |
| Decomposition | When heated to decomposition it emits very toxic fumes of /hydrogen chloride/, oxides of nitrogen, oxides of phosphorus and oxides of sulfur. |
| Corrosivity | Non-corrosive |
| Kovats Retention Index | 2480 2461 2476 2488 2496.6 2503.6 2470.2 2455.2 2506.1 2470 2491.4 2482 2507.9 2475.7 |
| Other Experimental Properties | Hydrolyzed by strong alkalis and acids |
| Chemical Classes | Pesticides -> Organophosphate Insecticides |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Skull and Crossbones Acute Toxicity GHS06  Environment GHS09 |
| GHS Hazard Statements |
H317:Sensitisation, Skin H332:Acute toxicity,inhalation H410:Hazardous to the aquatic environment, long-term hazard |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P273:Avoid release to the environment. P280:Wear protective gloves/protective clothing/eye protection/face protection. P301+P310:IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician. |
COMPUTED DESCRIPTORS
| Molecular Weight | 367.8 g/mol |
|---|---|
| XLogP3 | 4.4 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 7 |
| Exact Mass | 366.9868650 g/mol |
| Monoisotopic Mass | 366.9868650 g/mol |
| Topological Polar Surface Area | 105 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 418 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Phosalone is a member of the class of 1,3-benzoxazoles carrying a [(diethoxyphosphorothioyl)sulfanyl]methyl group at the nitrogen atom, an oxo group at position 2 and a chloro group at position 6. It is an organothiophosphate insecticide. It has a role as an EC 3.1.1.7 (acetylcholinesterase) inhibitor, an EC 3.1.1.8 (cholinesterase) inhibitor, an acaricide and an agrochemical. It is an organothiophosphate insecticide, an organochlorine insecticide, a carbamate ester and a member of 1,3-benzoxazoles.