126833-17-8
Product Name:
FENHEXAMID
Formula:
C14H17Cl2NO2
Synonyms:
N-(2,3-Dichloro-4-hydroxyphenyl)-1-methylcyclohexanecarboxamide
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CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | White solid; [HSDB] Beige powder; [MSDSonline] |
|---|---|
| Color/Form | White powder |
| Boiling Point | 320 °C |
| Melting Point | 153 °C |
| Flash Point | > 150 °C (> 302 °F) |
| Solubility | In water, 20 mg/L at 20 °C |
| Density | 1.34 at 20 °C |
| Vapor Pressure | 3X10-9 mm Hg at 20 °C /Extrapolated/ |
| LogP | log Kow = 3.51 |
| Henry's Law Constant | Henry's Law constant = 4.93X10-11 atm-cu m/mol at pH 7, 20 °C (calculated) |
| Stability/Shelf Life | Stable under recommended storage conditions. |
| Decomposition | When heated to decomposition it emits toxic vapors of nitrogen oxides and chloride. |
| Ionization Efficiency | Positive |
| Dissociation Constants | pKa = 7.3 |
| Collision Cross Section | 164.82 Ų [M+H]+ [CCS Type: TW] |
| Other Experimental Properties | Hydroxy radical reaction rate constant: 17X10-12 cu cm/molecule-sec at 25 °C /Estimated/ |
| Chemical Classes | Pesticides -> Fungicides |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Environment GHS09 |
| GHS Hazard Statements |
H411: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 | 302.2 g/mol |
|---|---|
| XLogP3 | 4.4 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 301.0636342 g/mol |
| Monoisotopic Mass | 301.0636342 g/mol |
| Topological Polar Surface Area | 49.3 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 331 |
| 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
Fenhexamid is an aromatic amide resulting from the formal condensation of the carboxy group of 1-methylcyclohexanecarboxylic acid with the amino group of 4-amino-2,3-dichlorophenol. It has a role as an EC 1.14.13.72 (methylsterol monooxygenase) inhibitor, a sterol biosynthesis inhibitor and an antifungal agrochemical. It is a monocarboxylic acid amide, a member of phenols, an aromatic amide, a dichlorobenzene and an anilide fungicide.