175013-18-0
Product Name:
Pyraclostrobin
Formula:
C19H18ClN3O4
Synonyms:
Methyl {2-[1-(4-chlorophenyl)-1H-pyrazol-3-yloxymethyl]phenyl}methoxycarbamate
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | White or light beige solid; [Merck Index] |
|---|---|
| Color/Form | White or light beige crystalline solid |
| Odor | Odorless[Health Canada; Regulatory Note: Pyraclostrobin-Headline EC-Cabrio EG (REG2003-06); Pest Management Regulatory Agency (2003) |
| Melting Point | 63.7 to 65.2 °C |
| Solubility | In water, 1.9 mg/L at 20 °C |
| Density | 1.285 g/cu cm at 20 °C[Health Canada; Regulatory Note: Pyraclostrobin-Headline EC-Cabrio EG (REG2003-06); Pest Management Regulatory Agency (2003) |
| Vapor Pressure | 1.95X10-10 mm Hg at 20 °C |
| LogP | log Kow = 3.99 at 22 °C |
| Collision Cross Section | 183.19 Ų [M+H]+ [CCS Type: TW] |
| Kovats Retention Index | 2967 |
| Chemical Classes | Pesticides -> Fungicides |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Skull and Crossbones Acute Toxicity GHS06  Environment GHS09 |
| GHS Hazard Statements |
H315:Skin corrosion/irritation H331:Acute toxicity,inhalation H410:Hazardous to the aquatic environment, long-term hazard |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P271:Use only outdoors or in a well-ventilated area. P273:Avoid release to the environment. P302+P352:IF ON SKIN: wash with plenty of soap and water. |
COMPUTED DESCRIPTORS
| Molecular Weight | 387.8 g/mol |
|---|---|
| XLogP3 | 4.1 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 7 |
| Exact Mass | 387.0985838 g/mol |
| Monoisotopic Mass | 387.0985838 g/mol |
| Topological Polar Surface Area | 65.8 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 476 |
| 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
Pyraclostrobin is a carbamate ester that is the methyl ester of [2-({[1-(4-chlorophenyl)-1H-pyrazol-3-yl]oxy}methyl)phenyl]methoxycarbamic acid. A fungicide used to control major plant pathogens including Septoria tritici, Puccinia spp. and Pyrenophora teres. It has a role as a mitochondrial cytochrome-bc1 complex inhibitor, a xenobiotic, an environmental contaminant and an antifungal agrochemical. It is a member of pyrazoles, a carbamate ester, an aromatic ether, a member of monochlorobenzenes, a methoxycarbanilate strobilurin antifungal agent and a carbanilate fungicide.