CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Pale to colorless solid; [ACGIH] |
|---|---|
| Color/Form | Colorless crystals |
| Odor | Odorless |
| Melting Point | 199.8 °C |
| Solubility | In water, 1.8 mg/L at 25 °C |
| Density | 1.54 at 20 °C |
| Vapor Pressure | 2.93X10-9 mm Hg at 25 °C |
| LogP | log Kow = 4.12 at 25 °C |
| Henry's Law Constant | Henry's Law constant = 5.3X10-10 atm-cu m/mol at 25 °C |
| Dissociation Constants | pKa1: <0; pKa2: approx 14.1 |
| Collision Cross Section | 165.7 Ų [M+Na]+ [CCS Type: DT, Method: stepped-field] |
| Kovats Retention Index | 2121.5 |
| Other Experimental Properties | log Kow = 2.6 |
| Chemical Classes | Pesticides -> Fungicides |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Environment GHS09 |
| GHS Hazard Statements |
H410:Hazardous to the aquatic environment, long-term hazard |
| Precautionary Statement Codes |
P273:Avoid release to the environment. P391:Collect spillage. Hazardous to the aquatic environment P501:Dispose of contents/container to..… |
COMPUTED DESCRIPTORS
| Molecular Weight | 248.18 g/mol |
|---|---|
| XLogP3 | 2.6 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 1 |
| Exact Mass | 248.03973376 g/mol |
| Monoisotopic Mass | 248.03973376 g/mol |
| Topological Polar Surface Area | 58 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 382 |
| 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
Fludioxonil is a member of the class of benzodioxoles that is 2,2-difluoro-1,3-benzodioxole substituted at position 4 by a 3-cyanopyrrol-4-yl group. A fungicide seed treatment for control of a range of diseases including Fusarium, Rhizoctonia and Alternaria. It has a role as an androgen antagonist, an estrogen receptor agonist and an antifungal agrochemical. It is a member of benzodioxoles, a member of pyrroles, a nitrile and an organofluorine compound.