CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Colorless to white solid; [ICSC] |
|---|---|
| Color/Form | Colorless crystals; tech. is an ochre-yellow solid [ |
| Odor | Odorless |
| Melting Point | 139.7 °C |
| Solubility | Solubility: xylene < 1 g/100 g (at 20 °C). /Technical bentazon/ |
| Density | 1.41 at 20 °C |
| Vapor Pressure | 0.00000345 [mmHg] |
| LogP | log Kow = 2.34 |
| Stability/Shelf Life | Stable under recommended storage conditions. |
| Decomposition | When heated to decomposition it emits very toxic fumes of /sulfur oxides and nitrogen oxides/. |
| Corrosivity | Not corrosive |
| Dissociation Constants | pKa = 3.3 at 24 °C |
| Collision Cross Section | 147.66 Ų [M-H]- 145.63 Ų [M+H]+ |
| Kovats Retention Index | 1926 |
| Other Experimental Properties | Slightly brown solid /Technical bentazon/ |
| Chemical Classes | Pesticides -> Herbicides, Other |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H302:Acute toxicity,oral H317:Sensitisation, Skin H319:Serious eye damage/eye irritation H412: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+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. P302+P352:IF ON SKIN: wash with plenty of soap and water. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
COMPUTED DESCRIPTORS
| Molecular Weight | 240.28 g/mol |
|---|---|
| XLogP3 | 2.8 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Exact Mass | 240.05686342 g/mol |
| Monoisotopic Mass | 240.05686342 g/mol |
| Topological Polar Surface Area | 74.9 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 385 |
| 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
Bentazone is a benzothiadiazine that is 1H-2,1,3-benzothiadiazin-4(3H)-one 2,2-dioxide substituted by an isopropyl group at position 3. It has a role as an environmental contaminant, a xenobiotic and a herbicide.