57966-95-7
Product Name:
Cymoxanil
Formula:
C7H10N4O3
Synonyms:
1-(2-Cyano-2-methoxyiminoacetyl)-3-ethylurea
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CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Colorless odorless solid; [HSDB] |
|---|---|
| Color/Form | Colorless crystals |
| Odor | Odorless |
| Melting Point | 160-161 °C |
| Solubility | Hexane: 1.85; toluene: 5.29; acetonitrile: 57; ethyl acetate: 28; n-octanol: 1.43; methanol: 22.9 g/L; acetone: 62.4 g/L; methylene chloride: 133.0 (all in g/L at 20 °C) |
| Density | 1.32 at 25 °C |
| Vapor Pressure | 0.00000113 [mmHg] |
| LogP | log Kow = 0.67 (pH 7); 0.59 (pH 5) |
| Decomposition | When heated to decomposition it emits toxic vapors of /nitrogen oxides/. |
| Dissociation Constants | pKa = 9.7 (decomposes) |
| Chemical Classes | Pesticides -> Fungicides |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07  Health Hazard GHS08  Environment GHS09 |
| GHS Hazard Statements |
H302:Acute toxicity,oral H317:Sensitisation, Skin H373:Specific target organ toxicity, repeated exposure H410:Hazardous to the aquatic environment, long-term hazard |
| Precautionary Statement Codes |
P201:Obtain special instructions before use. 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. P308+P313:IF exposed or concerned: Get medical advice/attention. |
COMPUTED DESCRIPTORS
| Molecular Weight | 198.18 g/mol |
|---|---|
| XLogP3 | 0.7 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 198.07529019 g/mol |
| Monoisotopic Mass | 198.07529019 g/mol |
| Topological Polar Surface Area | 104 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 301 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Cymoxanil is a member of the class of ureas that is urea in which the two nitrogen atoms are substituted by an ethyl group and a 2-cyano-2-(methoxyimino)acetyl group respectively. A fungicide used to control Peronosporales on a range of crops including vines, hops and potatoes. It has a role as an environmental contaminant, a xenobiotic and an antifungal agrochemical. It is a member of ureas, a nitrile, an oxime O-ether and an aliphatic nitrogen antifungal agent.