CHEMICAL AND PHYSICAL PROPERTIES
| Color/Form | White crystalline solid |
|---|---|
| Odor | Odorless |
| Boiling Point | 100.8 °C (3.7 mPa) |
| Melting Point | 78.6 °C |
| Solubility | In water, 15 mg/L at 25 °C |
| Density | 1.5 g/cu cm at 20 °C |
| Vapor Pressure | VP: 1.2X10-7 Pa at 20 °C (9.0X10-10 mm Hg) |
| LogP | log Kow = 4.4 at 25 °C |
| Henry's Law Constant | Henry's Law constant = 8.9X10-12 atm-cu m/mol at 25 °C |
| Decomposition | When heated to decomposition it emits toxic vapors of /nitrogen oxides/ and /chloride/. |
| Viscosity | 529 cP at 25 °C |
| Dissociation Constants | pKa = 1.1 at 20 °C |
| Collision Cross Section | 198.48 Ų [M+H]+ [CCS Type: TW] |
| Kovats Retention Index | 3136 3136 3136.2 3017 3019 2941.7 3025 3027 2954.1 |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07  Environment GHS09 |
| GHS Hazard Statements |
H302:Acute toxicity,oral H319:Serious eye damage/eye irritation H410:Hazardous to the aquatic environment, long-term hazard |
| Precautionary Statement Codes |
P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P270:Do not eat, drink or smoke when using this product. 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. 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 | 406.3 g/mol |
|---|---|
| XLogP3 | 4 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 5 |
| Exact Mass | 405.0646968 g/mol |
| Monoisotopic Mass | 405.0646968 g/mol |
| Topological Polar Surface Area | 58.4 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 495 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Difenoconazole is a member of the class of dioxolanes that is 1,3-dioxolane substituted at position 2 by 2-chloro-4-(4-chlorophenoxy)phenyl and 1,2,4-triazol-1-ylmethyl groups. A broad spectrum fungicide with novel broad-range activity used as a spray or seed treatment. It is moderately toxic to humans, mammals, birds and most aquatic organisms. It has a role as an environmental contaminant, a xenobiotic, an EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor and an antifungal agrochemical. It is an aromatic ether, a dioxolane, a member of triazoles, a cyclic ketal, a conazole fungicide and a triazole fungicide.