HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
3-Butynyl p-toluenesulfonate
BUT-3-YNYL 4-METHYLBENZENESULFONATE · But-3-yn-1-yl 4-Methylbenzenesulfonate · NSC 116062 · 3-BUTYNYL TOSYLATE · TIMTEC-BB SBB008912 · 4-Tosyloxy-1-butyne · 1-Tosyloxy-3-butyne · 3-Butyn-1-ol Tosylate
Identifikatoren & physikalische Daten
| CAS No. | 23418-85-1 |
|---|---|
| Summenformel | C11H12O3S |
| Durchschnittliche Molmasse | 224,28 g/mol |
| Monoisotopische Masse | 224,05071524 g/mol |
| SMILES | C#CCCOS(=O)(=O)c1ccc(C)cc1 |
| InChIKey | STOASOOVVADOKH-UHFFFAOYSA-N |
| PubChem CID | 272020 |
| EC No. | 627-850-0 |
| DTXSID | DTXSID30297461 |
Chemische & physikalische Eigenschaften
| XLogP | 2 |
|---|---|
| Polarare Oberfläche (TPSA) | 51,8 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 15 |
| Formalladung | 0 |
| Komplexität | 323 |
| Schmelzpunkt | 42-45° |
| Siedepunkt | 128°C 0,01mm |
| Dichte | 1.27 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.519(lit.) |
| Flammpunkt | >65°C |
| Lagerbedingungen | Refrigerator (+4°C) |
| Löslichkeit | Dichloromethane, Methanol |
| Aggregatzustand | Liquid |
| Wichte | 1.270 |
| Farbe | Clear slightly yellow |
| BRN | 3304257 |
| InChI | 1S/C11H12O3S/c1-3-4-9-14-15(12,13)11-7-5-10(2)6-8-11/h1,5-8H,4,9H2,2H3 |
| InChIKey | STOASOOVVADOKH-UHFFFAOYSA-N |
| SMILES | Cc1ccc(cc1)S(=O)(=O)OCCC#C |
| CAS Datenbank | 23418-85-1(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 2.3% (1 of 44) of reports.WarningH315 (97.7%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 44 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (97.7%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29041000 |
| R-Sätze (R) | 36/37/38-22 |
| Gefahrensymbole | Xi,Xn |
| Sicherheitshinweise (S) | 26-36/37/39-37/39 |
| Lagerklasse | 10 - Combustible liquids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
An organic sulfur compound, 3-Butynyl p-toluenesulfonate can be used for controlling harmful arthropod.