99387-89-0
Product Name:
Triflumizole
Formula:
C15H15ClF3N3O
Synonyms:
(E)-4-Chloro-α,α,α-trifluoro-N-(1-imidazol-1-yl-2-propoxyethylidene)-o-toluidine;1-{1-{[4-Chloro-2-(trifluoromethyl)phenyl]imino}-2-propoxyethyl}-1H-imidazole
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
Physical Description | COLOURLESS CRYSTALS. |
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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 |
COMPUTED DESCRIPTORS
Molecular Weight | 345.75 g/mol |
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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.