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Pyridaben · CAS 96489-71-3 · C19H25ClN2OS. UNII 2E4JBA5272. Melting Point: 111-112 °C; Solubility: In water, 0.012 mg/l @ 24 °C; Density: 1.2 @ 20 °C.
| CAS Registry Number | 96489-71-3 |
|---|---|
| PubChem CID | 91754 |
| Molecular formula | C19H25ClN2OS |
| IUPAC name | 2-tert-butyl-5-[(4-tert-butylphenyl)methylsulfanyl]-4-chloropyridazin-3-one |
| UNII (FDA) | 2E4JBA5272 |
| Molecular Weight | 364.9 |
|---|---|
| XLogP3 | 5.2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 5 |
| Exact Mass | 364.1376123 |
| Monoisotopic Mass | 364.1376123 |
| Topological Polar Surface Area | 58 |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Melting Point | 111-112 °C |
|---|---|
| Solubility | In water, 0.012 mg/l @ 24 °C |
| Density | 1.2 @ 20 °C |
| Vapor Pressure | 0.00000118 [mmHg] |
| Vapor Pressure | 1.18X10-6 mm Hg @ 20 °C |
| Reported hazard statements | H301, H331, H400, H410, H336, H370, H302, H371 |
|---|
H301: Toxic if swallowed [Danger Acute toxicity, oral]
H331: Toxic if inhaled [Danger Acute toxicity, inhalation]
Pyridaben; 96489-71-3; Sanmite; NCI 129; DTXSID5032573; 2-tert-butyl-5-[(4-tert-butylphenyl)methylsulfanyl]-4-chloropyridazin-3-one; 2-tert-Butyl-5-(4-tert-butyl-benzylthio)-4-chloropyridazin-3(2H)-one; 2E4JBA5272; GWN 1715; 4-chloro-2-(1,1-dimethylethyl)-5-(((4-(1,1-dimethylethyl)phenyl)methyl)thio)-3(2H)-pyridazinone; 2-tert-Butyl-5-(4-tert-Butylbenzylthio)-4-chloropyridazin-3(2H)-one; DTXCID3012573; CHEBI:38626; 3(2H)-Pyridazinone, 4-chloro-2-(1,1-dimethylethyl)-5-(((4-(1,1-dimethylethyl)phenyl)methyl)thio)-; 2-tert-butyl-5-[(4-tert-butylbenzyl)thio]-4-chloropyridazin-3(2H)-one; 2-tert-butyl-5-((4-tert-butylbenzyl)thio)-4-chloropyridazin-3(2H)-one
CAS 96489-71-3; molecular formula C19H25ClN2OS; molecular weight — g/mol.
Pyridaben, 96489-71-3, Sanmite, NCI 129, DTXSID5032573, 2-tert-butyl-5-[(4-tert-butylphenyl)methylsulfanyl]-4-chloropyridazin-3-one.
Hazard statements reported: H301, H331, H400, H410, H336.
Melting Point: 111-112 °C; Solubility: In water, 0.012 mg/l @ 24 °C; Density: 1.2 @ 20 °C; Vapor Pressure: 0.00000118 [mmHg].
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.