CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | COLOURLESS CRYSTALS. |
|---|---|
| Color/Form | Colorless crystals |
| Boiling Point | No boiling point at normal pressure; decomposes at 150 °C |
| Melting Point | 63.5 °C |
| Solubility | In water, 10.2 mg/L at 20 °C and pH 7 |
| Density | 1.4 g/cm³ |
| Vapor Pressure | 0.0000014 [mmHg] |
| LogP | log Kow = 5.06 at pH 6.5; log Kow = 5.10 at pH 6.9; log Kow = 5.12 at pH 7.9 |
| Stability/Shelf Life | Stable under recommended storage conditions. |
| Decomposition | Decomposes on burning. This produces toxic and corrosive fumes including nitrogen oxides, hydrogen fluoride, and hydrogen chloride. |
| Dissociation Constants | pKa = 3.70 at 25 °C |
| Collision Cross Section | 177.09 Ų [M+H]+ |
| Kovats Retention Index | 2057 |
| Chemical Classes | Pesticides -> Fungicides |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07  Environment GHS09 |
| GHS Hazard Statements |
H302:Acute toxicity,oral H411:Hazardous to the aquatic environment, long-term hazard |
| Precautionary Statement Codes |
P273:Avoid release to the environment. |
COMPUTED DESCRIPTORS
| Molecular Weight | 345.75 g/mol |
|---|---|
| XLogP3 | 4 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 6 |
| Exact Mass | 345.0855743 g/mol |
| Monoisotopic Mass | 345.0855743 g/mol |
| Topological Polar Surface Area | 39.4 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 406 |
| 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
Triflumizole is a carboxamidine resulting from the formal condensation of the amino group of 4-chloro-2-(trifluoromethyl)aniline with the oxygen of the acetyl group of N-(propoxyacetyl)imidazole. A sterol demethylation inhibitor, it is used as a fungicide for the control of powdery mildew, scab and other diseases on a variety of crops. It has a role as an EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor and an antifungal agrochemical. It is a member of monochlorobenzenes, a member of imidazoles, a member of (trifluoromethyl)benzenes, a carboxamidine, an ether, a conazole fungicide and an imidazole fungicide.