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2-Methylthiazol
Thiazole, 2-methyl- · 2-METHYL-1,3-THIAZOLE · AURORA KA-6469 · 2-Methylthiazol · 2-Methylthiazole · 2-Methyl thiazole · 2-Methyl Thiozole · thiazole,2-methyl-
Identifikatoren & physikalische Daten
| CAS No. | 3581-87-1 |
|---|---|
| Summenformel | C4H5NS |
| Durchschnittliche Molmasse | 99,16 g/mol |
| Monoisotopische Masse | 99,01427016 g/mol |
| SMILES | Cc1nccs1 |
| InChIKey | VZWOXDYRBDIHMA-UHFFFAOYSA-N |
| PubChem CID | 77129 |
| ChEBI | CHEBI:229326 |
| EC No. | 222-702-8 |
| DTXSID | DTXSID20189346 |
| Lokaler Name | 2-Methylthiazol |
Chemische & physikalische Eigenschaften
| XLogP | 1,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 41,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 6 |
| Formalladung | 0 |
| Komplexität | 46,8 |
| SpringerMaterials Properties | Schoenflies notation |
| Aromastoffe | EU Flavoring substances |
| Schmelzpunkt | -24 °C |
| Siedepunkt | 129 °C |
| Dichte | 1.11 |
| Brechungsindex | 1.5190-1.5230 |
| Flammpunkt | 29 °C |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | Completely miscible in water |
| Aggregatzustand | liquid |
| pKa (Säurekonstante) | pK1:3.40(+1) (25°C,μ=0.1) |
| Farbe | Colorless to Yellow |
| Geruch | at 0.10 % in propylene glycol. green vegetable |
| Geruchsart | green |
| InChI | 1S/C4H5NS/c1-4-5-2-3-6-4/h2-3H,1H3 |
| InChIKey | VZWOXDYRBDIHMA-UHFFFAOYSA-N |
| SMILES | Cc1nccs1 |
| LogP (Verteilungskoeffizient) | 0.343 (est) |
| CAS Datenbank | 3581-87-1(CAS DataBase Reference) |
| NIST chemische Informationen | 2-Methylthiazole(3581-87-1) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH226 (97.7%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 43 reports by companies from 3 notifications to the ECHA C&L Inventory. |
|---|---|
| Regulatorische Informationen | Chemical: Thiazole, 2-methyl-Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)Thiazole, 2-methyl-: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Flam. Liq. 3 (97.7%) |
| Wassergefährdungsklasse (WGK) | WGK 3 |
| UN-Transportnummer | 1993 |
| Zollcode | 2934100090 |
| R-Sätze (R) | 10-22 |
| Sicherheitshinweise (S) | 23-26-36/37/39 |
| Gefahrenklasse | 3Flam. Liq. 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 3 - Flammable liquids |
Anwendungen & Verwendung
Verwenden
2-Methylthiazole is a derivative of thiazole, an anti-tubercular agent.