CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Thiophanate-methyl appears as colorless crystals or light brown powder. (NTP, 1992) |
|---|---|
| Color/Form | Colorless crystals |
| Melting Point | 342 °F (Decomposes) (NTP, 1992) |
| Solubility | less than 1 mg/mL at 68 °F (NTP, 1992) |
| Vapor Pressure | less than 0.0000001 mmHg at 68 °F (NTP, 1992) |
| LogP | log Kow = 1.40 |
| Stability/Shelf Life | Stable in neutral, aqueous solution at room temperature. Stable to air & sunlight. Quite stable in acidic solution at room temperature; unstable in alkaline solution. ... Formulated product is stable > or = 2 yr below 50 °C. |
| Decomposition | When heated to decomposition it emits very toxic fumes of /nitrogen oxides and sulfur oxides/. |
| Ionization Efficiency | Positive |
| Dissociation Constants | pKa = 7.28 |
| Collision Cross Section | 173.3 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards] |
| Other Experimental Properties | Unique thioallophanate structure |
| Chemical Classes | Pesticides -> Fungicides |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07  Health Hazard GHS08  Environment GHS09 |
| GHS Hazard Statements |
H317:Sensitisation, Skin H332:Acute toxicity,inhalation H341:Germ cell mutagenicity H351:Carcinogenicity H410:Hazardous to the aquatic environment, long-term hazard |
| Precautionary Statement Codes |
P202:Do not handle until all safety precautions have been read and understood. 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 | 342.4 g/mol |
|---|---|
| XLogP3 | 2.6 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 4 |
| Exact Mass | 342.04564729 g/mol |
| Monoisotopic Mass | 342.04564729 g/mol |
| Topological Polar Surface Area | 165 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 407 |
| 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
Thiophanate-methyl appears as colorless crystals or light brown powder. (NTP, 1992)