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4,5-Dichloro-2-methyl-4-isothiazolin-3-one
4,5-DICHLORO-2-METHYLISOTHIAZOLINONE · 4,5-Dichloro-2-Methylisothiazol-3-one · 4,5-dichloro-2-methyl-1,2-thiazol-3-one · 4,5-Dichloro-2-methylisothiazol-3(2H)-one · 4,5-Dichloro-2-methyl-3(2H)-isothiazolone · 4,5-dichloro-2-methyl-4-isothiazolin-3-one · 3(2H)-Isothiazolone, 4,5-dichloro-2-methyl-
Identifikatoren & physikalische Daten
| CAS No. | 26542-23-4 |
|---|---|
| Summenformel | C4H3Cl2NOS |
| Durchschnittliche Molmasse | 184,04 g/mol |
| Monoisotopische Masse | 182,93124008 g/mol |
| SMILES | Cn1sc(Cl)c(Cl)c1=O |
| InChIKey | CVZDIUZSWUDGOP-UHFFFAOYSA-N |
| PubChem CID | 147017 |
| EC No. | 998-506-8 |
| DTXSID | DTXSID50181116 |
Chemische & physikalische Eigenschaften
| XLogP | 1,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 45,6 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 191 |
| Schmelzpunkt | 116 °C |
| Siedepunkt | 199.1±50.0 °C(Predicted) |
| Dichte | 1.66±0.1 g/cm3(Predicted) |
| Lagerbedingungen | -20°C Freezer |
| Löslichkeit | Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly) |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | -6.08±0.60(Predicted) |
| Farbe | White to Off-White |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301+H311+H331 (100%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oralacute toxicity, dermalacute toxicity, inhalation]P260, P261, P262, P264, P264+P265, P270, P271, P272, P273, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P333+P317, P361+P364, P362+P364, P363, P391, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 37 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: 3(2H)-Isothiazolone, 4,5-dichloro-2-methyl- |
| Weitere Sicherheitsinformationen | IMAP assessments - 3(2H)-Isothiazolone, 4,5-dichloro-2-methyl-: Human health tier I assessment |
| Hazard Classes and Categories | Acute Tox. 3 (100%) |
| UN-Transportnummer | 2922 |
| Gefahrenklasse | 8 |
| Verpackungsgruppe | III |
Anwendungen & Verwendung
Verwenden
4,5-Dichloro-2-methylisothiazol-3-one is an methylisothiazolinone derivative and a potential antimicrobial agent for the inhibition of PCAF activity.