121552-61-2
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | White solid; [Merck Index] |
|---|---|
| Color/Form | Fine beige powder |
| Odor | Weak odor |
| Melting Point | 75.9 °C |
| Solubility | In water, 13 mg/L (pH 7.0); 20 mg/L (pH 5.0) at 25 °C |
| Density | 1.21 at 20 °C |
| Vapor Pressure | 0.00000368 [mmHg] |
| LogP | log Kow = 3.59 |
| Stability/Shelf Life | Stable under recommended storage conditions. |
| Decomposition | DT50 in pH range 4-9 (25 °C) >>1 yr. Photolysis DT50 in water 0.4-13.5 days. |
| pH | Weak base |
| Dissociation Constants | pKa = 4.44 |
| Collision Cross Section | 152.07 Ų [M+H]+ [CCS Type: TW] |
| Kovats Retention Index | 2068 2037 2043 2019.1 2024.4 |
| Other Experimental Properties | VAP: 5.1X10-4 Pa (crystal modif. A); 4.7X10-4 Pa (crystal modif B) at 25 °C |
| Chemical Classes | Pesticides -> Fungicides |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07  Environment GHS09 |
| GHS Hazard Statements |
H317:Sensitisation, Skin H410:Hazardous to the aquatic environment, long-term hazard |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P272:Contaminated work clothing should not be allowed out of the workplace. P273:Avoid release to the environment. P280:Wear protective gloves/protective clothing/eye protection/face protection. P302+P352:IF ON SKIN: wash with plenty of soap and water. P333+P313:IF SKIN irritation or rash occurs: Get medical advice/attention. |
COMPUTED DESCRIPTORS
| Molecular Weight | 225.29 g/mol |
|---|---|
| XLogP3 | 3.1 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 225.126597491 g/mol |
| Monoisotopic Mass | 225.126597491 g/mol |
| Topological Polar Surface Area | 37.8 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 246 |
| 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
Cyprodinil is a member of the class of aminopyrimidine that is N-phenylpyrimidin-2-amine carrying additional cyclopropyl and methyl substituents at positions 4 and 6 respectively. A broad spectrum fungicide used to control a range of pathogens including Tapesia yallundae, Botrytis spp., Alternaria spp. and Rhynchospium secalis. Whilst it is a recognised irritant no serious human health concerns have been identified. It is moderately toxic to birds as well as most aquatic organisms and earthworms, but it is not considered toxic to honeybees. It has a role as an aryl hydrocarbon receptor agonist, an environmental contaminant, a xenobiotic and an antifungal agrochemical. It is an aminopyrimidine, a secondary amino compound, a member of cyclopropanes and an anilinopyrimidine fungicide.