43121-43-3
Product Name:
Triadimefon
Formula:
C14H16ClN3O2
Synonyms:
1-(4-Chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)-2-butanone
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Triadimefon is a colorless to pale yellow crystalline solid with a slight odor. (NTP, 1992) |
|---|---|
| Color/Form | Colorless solid |
| Odor | Characteristic odor |
| Melting Point | 180.1 °F (NTP, 1992) |
| Flash Point | 162 °F /72 °C/ |
| Solubility | less than 1 mg/mL at 72 °F (NTP, 1992) |
| Density | 1.22 at 68 °F (NTP, 1992) - Denser than water; will sink |
| Vapor Pressure | 1.5e-08 mmHg at 68 °F (NTP, 1992) |
| LogP | log Kow = 2.77 |
| Stability/Shelf Life | Stable to hydrolysis at 22 °C. |
| Decomposition | When heated to decomposition it emits very toxic fumes of /hydrogen chloride & nitrogen oxides/. |
| Corrosivity | Non-corrosive |
| Collision Cross Section | 170.72 Ų [M-H]- 172.99 Ų [M+H]+ |
| Kovats Retention Index | 1966 1981 1966.4 1968 1965 1939 1967.9 1969.8 1965.7 |
| Other Experimental Properties | Stable in 0.1 N H2SO4 for 24 hours; stable in 0.1N NaOH at 20 °C |
| Chemical Classes | Pesticides -> Fungicides |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Skull and Crossbones Acute Toxicity GHS06  Environment GHS09 |
| GHS Hazard Statements |
H302:Acute toxicity,oral H317:Sensitisation, Skin H330:Acute toxicity,inhalation H410:Hazardous to the aquatic environment, long-term hazard |
| Precautionary Statement Codes |
P260:Do not breathe dust/fume/gas/mist/vapours/spray. P273:Avoid release to the environment. P280:Wear protective gloves/protective clothing/eye protection/face protection. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. P302+P352:IF ON SKIN: wash with plenty of soap and water. |
COMPUTED DESCRIPTORS
| Molecular Weight | 293.75 g/mol |
|---|---|
| XLogP3 | 2.8 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 5 |
| Exact Mass | 293.0931045 g/mol |
| Monoisotopic Mass | 293.0931045 g/mol |
| Topological Polar Surface Area | 57 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 338 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Triadimefon is a colorless to pale yellow crystalline solid with a slight odor. (NTP, 1992)