55219-65-3
Product Name:
Triadimenol
Formula:
C14H18ClN3O2
Synonyms:
α-tert-Butyl-β-(4-chlorophenoxy)-1H-1,2,4-triazole-1-ethanol
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid with a mild non-specific odor; [Merck Index] Formulated as emulsifiable, soluble, and flowable concentrates and wettable powder; [Reference #1] |
|---|---|
| Color/Form | Colorless crystalline solid |
| Odor | Slight non-specific odor |
| Melting Point | 118-130 °C |
| Solubility | Soluble in alcohol, ketones |
| Density | 1.22 g/cu cm |
| Vapor Pressure | 3.1X10-10 mm Hg at 20 °C |
| LogP | log Kow = 2.90 |
| Decomposition | When heated to decomposition it emits toxic vapors of /Nitrogen oxides and Chlorides/. |
| Collision Cross Section | 177.62 Ų [M+Na]+ 178.1 Ų [M+HCOO]- 172.08 Ų [M+H]+ |
| Kovats Retention Index | 2078.6 2087.9 2076 2084 2095 2088 2104 2065.3 2063.1 2064.6 2069.9 2079.6 2062.6 2064 2087.9 |
| Other Experimental Properties | Diastereoisomer A(1RS, 2SR) and diastereoisomer B(1RS, 2RS) ratio of A:B is 7:3 |
| Chemical Classes | Pesticides -> Fungicides |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07  Health Hazard GHS08  Environment GHS09 |
| GHS Hazard Statements |
H302:Acute toxicity,oral H362:Reproductive toxicity, effects on or via lactation H411:Hazardous to the aquatic environment, long-term hazard |
| Precautionary Statement Codes |
P202:Do not handle until all safety precautions have been read and understood. P260:Do not breathe dust/fume/gas/mist/vapours/spray. P263:Avoid contact during pregnancy/while nursing. P273:Avoid release to the environment. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. P308+P313:IF exposed or concerned: Get medical advice/attention. |
COMPUTED DESCRIPTORS
| Molecular Weight | 295.76 g/mol |
|---|---|
| XLogP3 | 3.1 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 5 |
| Exact Mass | 295.1087545 g/mol |
| Monoisotopic Mass | 295.1087545 g/mol |
| Topological Polar Surface Area | 60.2 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 303 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Triadimenol is a member of the class of triazoles that is 3,3-dimethyl-1-(1,2,4-triazol-1-yl)butane-1,2-diol substituted at position O1 by a 4-chlorophenyl group. A fungicide for cereals, beet and brassicas used to control a range of diseases including powdery mildew, rusts, bunts and smuts. It has a role as an EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor, a xenobiotic metabolite and an antifungal agrochemical. It is an aromatic ether, a member of monochlorobenzenes, a conazole fungicide, a triazole fungicide, a secondary alcohol and a hemiaminal ether.