CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | COLOURLESS CRYSTALS OR WHITE POWDER. |
|---|---|
| Color/Form | Colorless powder |
| Odor | Odorless |
| Boiling Point | No boiling point at normal pressure; decomposes at 194 °C |
| Melting Point | 84 °C |
| Solubility | Acetone 32 g/100 ml; dichloromethane 50 g/100 ml; ethyl acetate 23 g/100 ml; n-hexane 0.2 g/100ml; MeOH 30 g/100 ml; 1-octanol 6 g/100 ml; 2-propanol 6 g/100 ml; toluene 22 g/100 ml; water (distilled) 61 mg/L; water (pH 5) 52 mg/L |
| Density | 1.72 g/mL |
| Vapor Pressure | 3X10-8 mm Hg at 25 °C |
| LogP | log Kow = 3.24 |
| Henry's Law Constant | Henry's Law constant = 8.2X10-11 atm-cu m/mole at 25 °C |
| Stability/Shelf Life | In water, stable in the dark at acidic, basic or neutral pH values. Under simulated sunlight, degradation is pH-dependent: bromuconazole is degraded especially in acidic conditions, DT50 18 days. |
| Decomposition | When heated to decomposition it emits toxic vapors of /nitrogen oxides, hydrogen bromide, and hydrogen chloride/. |
| Collision Cross Section | 168.75 Ų [M+H]+ 171.03 Ų [M+H]+ |
| Kovats Retention Index | 2486.5 |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07  Environment GHS09 |
| GHS Hazard Statements |
H302:Acute toxicity,oral H400:Hazardous to the aquatic environment, acute hazard |
| Precautionary Statement Codes |
P273:Avoid release to the environment. |
COMPUTED DESCRIPTORS
| Molecular Weight | 377.1 g/mol |
|---|---|
| XLogP3 | 3.6 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 374.95408 g/mol |
| Monoisotopic Mass | 374.95408 g/mol |
| Topological Polar Surface Area | 39.9 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 352 |
| 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
Bromuconazole is a member of the class of oxolanes carrying 1,2,4-triazol-ylmethyl and 2,4-dichlorophenyl substituents at position 2 as well as a bromo substituent at position 4. A foliar applied conazole fungicide for a range of crops including cereals, fruit, vegetables and vines. It has a role as an EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor and an antifungal agrochemical. It is a dichlorobenzene, an organobromine compound, a member of oxolanes, a member of triazoles, a conazole fungicide and a triazole fungicide.