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2,4-Dimethylthiophen
2,4-Dimethylthiophene · Thiophene, 2,4-dimethyl- · 2,4-Dimethylthiophene in isooctane · 2,4-dimethylthiophene CAS NO.638-00-6 · 2,4-DIMETHYLTHIOPHENE ISO 9001：2015 REACH · 2,4-Dimethylthiophene, 95%, for synthesis
Identifikatoren & physikalische Daten
| CAS No. | 638-00-6 |
|---|---|
| Summenformel | C6H8S |
| Durchschnittliche Molmasse | 112,19 g/mol |
| Monoisotopische Masse | 112,03467126 g/mol |
| SMILES | Cc1csc(C)c1 |
| InChIKey | CPULIKNSOUFMPL-UHFFFAOYSA-N |
| PubChem CID | 34296 |
| EC No. | 211-312-3 |
| DTXSID | DTXSID40213238 |
| Lokaler Name | 2,4-Dimethylthiophen |
Chemische & physikalische Eigenschaften
| XLogP | 2,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 28,2 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 7 |
| Formalladung | 0 |
| Komplexität | 61,2 |
| SpringerMaterials Properties | Boiling point |
| Siedepunkt | 139.00 to 141.00 °C. @ 760.00 mm Hg139-141°C |
| Schmelzpunkt | -66.9°C (estimate) |
| Dichte | 0,994 g/cm3 |
| Brechungsindex | 1.5078 |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Store in freezer, under -20°C |
| Aggregatzustand | liquid (estimate) |
| Henry-Konstante | 1.5×10-3 mol/(m3Pa) at 25℃, Yaws et al. (2003) |
| InChI | InChI=1S/C6H8S/c1-5-3-6(2)7-4-5/h3-4H,1-2H3 |
| InChIKey | CPULIKNSOUFMPL-UHFFFAOYSA-N |
| SMILES | C1(C)SC=C(C)C=1 |
| LogP (Verteilungskoeffizient) | 2.595 (est) |
| CAS Datenbank | 638-00-6(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH225 (33.3%): Highly Flammable liquid and vapor [Danger Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Flam. Liq. 2 (33.3%) |
| UN-Transportnummer | 1993 |
| Zollcode | 29349990 |
| R-Sätze (R) | 10-36/37/38 |
| Sicherheitshinweise (S) | 16-36/37/39-26 |
| Gefahrenklasse | IRRITANT |
Anwendungen & Verwendung
Verwenden
2,4-Dimethylthiophene is a biochemical used for proteomics and food research.