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Mesitylen-2-sulfonohydrazid
MSH · POC · 2,4,6-TRIMETHYLBENZENESULFONOHYDRAZIDE · LPH · 2,4,6-TRIMETHYLBENZENESULFONYL HYDRAZIDE · 2-MESITYLENESULFONYL HYDRAZIDE · OBAIRH) · Beta-LPH
Identifikatoren & physikalische Daten
| CAS No. | 16182-15-3 |
|---|---|
| Summenformel | C9H14N2O2S |
| Durchschnittliche Molmasse | 214,29 g/mol |
| Monoisotopische Masse | 214,07759887 g/mol |
| SMILES | Cc1cc(C)c(S(=O)(=O)NN)c(C)c1 |
| InChIKey | JQUBKTQDNVZHIY-UHFFFAOYSA-N |
| PubChem CID | 85321 |
| EC No. | 240-319-4 |
| DTXSID | DTXSID10167254 |
| Lokaler Name | Mesitylen-2-sulfonohydrazid |
Chemische & physikalische Eigenschaften
| XLogP | 1,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 80,6 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 14 |
| Formalladung | 0 |
| Komplexität | 272 |
| Schmelzpunkt | 112-114 °C (dec.) (lit.) |
| Siedepunkt | 369.1±52.0 °C(Predicted) |
| Dichte | 1.217 |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Löslichkeit | Chloroform (Slightly), Methanol (Slightly) |
| pKa (Säurekonstante) | 9.58±0.10(Predicted) |
| Aggregatzustand | Powder |
| Farbe | White to off-white |
| BRN | 2118380 |
| InChI | InChI=1S/C9H14N2O2S/c1-6-4-7(2)9(8(3)5-6)14(12,13)11-10/h4-5,11H,10H2,1-3H3 |
| InChIKey | JQUBKTQDNVZHIY-UHFFFAOYSA-N |
| SMILES | C1(S(NN)(=O)=O)=C(C)C=C(C)C=C1C |
| CAS Datenbank | 16182-15-3(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH228 (100%): Flammable solid [Danger Flammable solids]P210, P240, P241, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Flam. Sol. 1 (100%) |
| F | 4.8 |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 1325 4.1/PG 2 |
| Zollcode | 29350090 |
| R-Sätze (R) | 5-11-36/37/38 |
| Gefahrensymbole | F,Xi |
| Sicherheitshinweise (S) | 16-26-36 |
| Gefahrenklasse | 4.1Eye Irrit. 2Flam. Sol. 1Skin Irrit. 2STOT SE 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 4.1B - Flammable solid hazardous materials |
Anwendungen & Verwendung
Verwenden
2,4,6-Trimethylbenzenesulfonohydrazide has been used in the synthesis of:(E)-N′-(1-((1S*,4aR*,8aR*)-1-hydroxydecahydronaphthalen-4a-yl)ethylidene)-2,4,6-trimethylbenzenesulfonohydrazidecomplanadine alkaloids