CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Tan solid; [Merck Index] Colorless solid; [MSDSonline] |
|---|---|
| Color/Form | Tan solid |
| Odor | Faint sulfur-like |
| Melting Point | 121-123 °C |
| Solubility | In water, 110 mg/l (pH 6) at 25 °C; 780 mg/l (pH 7) at 25 °C; 16000 mg/l (pH 7.5) at 25 °C |
| Density | 1.21 g/ml @ 20 °C |
| Vapor Pressure | 9.75X10-10 mm Hg @ 25 °C |
| LogP | log Kow = 0.99 @ pH 7 |
| Dissociation Constants | pKa = 6.56 |
| Collision Cross Section | 173.63 Ų [M+H]+ [CCS Type: TW] |
| Chemical Classes | Pesticides -> Herbicides, Protox-Inhibiting |
COMPUTED DESCRIPTORS
| Molecular Weight | 387.2 g/mol |
|---|---|
| XLogP3 | 2.3 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 4 |
| Exact Mass | 385.9818731 g/mol |
| Monoisotopic Mass | 385.9818731 g/mol |
| Topological Polar Surface Area | 90.5 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 613 |
| 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
Sulfentrazone is a member of the class of triazoles that is 5-oxo-1,2,4-triazole which is substituted at positions 1, 3, and 4 by 2,4-dichloro-5-[(methylsulfonyl)amino]phenyl, methyl, and difluoromethyl groups, respectively. A protoporphyrinogen oxidase inhibitor, it is used as a herbicide to control broad-leaved weeds in soya and tobacco crops. Not approved for use within the European Union. It has a role as an EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor, a herbicide and an agrochemical. It is a sulfonamide, a dichlorobenzene, an organofluorine compound and a member of triazoles.