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Imazethapyr · CAS 81335-77-5 · C15H19N3O3. UNII 72T2IN94I4. Boiling Point: 180 °C (decomposes); Melting Point: 173 °C; Solubility: In water, 1415 ppm at 25 °C.
| CAS Registry Number | 81335-77-5 |
|---|---|
| PubChem CID | 54740 |
| Molecular formula | C15H19N3O3 |
| IUPAC name | 5-ethyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid |
| UNII (FDA) | 72T2IN94I4 |
| Molecular Weight | 289.33 |
|---|---|
| XLogP3 | 2 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 289.14264148 |
| Monoisotopic Mass | 289.14264148 |
| Topological Polar Surface Area | 91.7 |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Boiling Point | 180 °C (decomposes) |
|---|---|
| Melting Point | 173 °C |
| Solubility | In water, 1415 ppm at 25 °C |
| Density | 1.10 to 1.12 at 21 °C |
| LogP | 1.09 |
| Dissociation Constants | pK1 = 2.1; pK2 = 3.9 |
| GHS notification summary | 2.2% (3 / 135) |
|---|
| GHS notification summary | 2.2% (3 / 135) |
|---|---|
| Reported hazard statements | H312 (20.7%), H400 (97.8%), H410 (97.8%) |
This chemical does not meet GHS hazard criteria for 2.2% (3 of 135) of reports.
H312 (20.7%): Harmful in contact with skin [Warning Acute toxicity, dermal]
IMAZETHAPYR; 81335-77-5; Pursuit; Pivot; DTXSID3024287; FABIAN; CL 263499; 72T2IN94I4; AC 263,499; AC-263499; DTXCID004287; 3-Pyridinecarboxylic acid, 2-[4,5-dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1H-imidazol-2-yl]-5-ethyl-; (RS)-5-Ethyl-2(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)nicotinic acid; (+-)-2-(4,5-Dihydro-4-methyl-4(1-methylethyl)-5-oxo-1H-imidazol-2yl)-5-ethyl-3-pyridinecarboxylic acid; 2-(4,5-Dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1H-imidazol-2-yl)-5-ethyl-3-pyridinecarboxylic acid; CL-263499
CAS 81335-77-5; molecular formula C15H19N3O3; molecular weight — g/mol.
IMAZETHAPYR, 81335-77-5, Pursuit, Pivot, DTXSID3024287, FABIAN.
2.2% of GHS notifications report no hazard classification (3 of 135).
Boiling Point: 180 °C (decomposes); Melting Point: 173 °C; Solubility: In water, 1415 ppm at 25 °C; Density: 1.10 to 1.12 at 21 °C.
Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.