HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2-Chlorethyl-toluen-4-sulfonat
2-chloroethyltosylate · 2-Chloroethyl tosylate · 2-tosyloxyethylchloride · 2-Chloroethyl p-tosylate · 2-Chloroethanol tosylate · -Chloroethyl-p-toluenesulfnate · 2-CHLOROETHYL P-TOLUENESULFONATE · 2-CHLOROETHYL 4-TOLUENESULFONATE
Identifikatoren & physikalische Daten
| CAS No. | 80-41-1 |
|---|---|
| Summenformel | C9H11ClO3S |
| Durchschnittliche Molmasse | 234,7 g/mol |
| Monoisotopische Masse | 234,01174289 g/mol |
| SMILES | Cc1ccc(S(=O)(=O)OCCCl)cc1 |
| InChIKey | ZXNMIUJDTOMBPV-UHFFFAOYSA-N |
| PubChem CID | 6639 |
| ChEMBL | CHEMBL166116 |
| EC No. | 201-277-2 |
| DTXSID | DTXSID20883256 |
| Lokaler Name | 2-Chlorethyl-toluen-4-sulfonat |
Chemische & physikalische Eigenschaften
| XLogP | 2 |
|---|---|
| Polarare Oberfläche (TPSA) | 51,8 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 14 |
| Formalladung | 0 |
| Komplexität | 250 |
| SpringerMaterials Properties | Nuclear quadrupole resonance spectroscopy |
| Schmelzpunkt | 157-161℃ |
| Siedepunkt | 153 °C0.3 mm Hg(lit.) |
| Dichte | 1.294 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.529(lit.) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | Chloroform (Slightly), Methanol (Slightly) |
| Aggregatzustand | Liquid |
| Farbe | Clear colorless to yellow |
| BRN | 1968816 |
| InChI | 1S/C9H11ClO3S/c1-8-2-4-9(5-3-8)14(11,12)13-7-6-10/h2-5H,6-7H2,1H3 |
| InChIKey | ZXNMIUJDTOMBPV-UHFFFAOYSA-N |
| SMILES | Cc1ccc(cc1)S(=O)(=O)OCCCl |
| CAS Datenbank | 80-41-1(CAS DataBase Reference) |
| EPA chemische Informationen | Ethanol, 2-chloro-, 4-methylbenzenesulfonate (80-41-1) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 51 reports by companies from 3 notifications to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | 2810 |
| Zollcode | 29055900 |
| RTECS-Nr. | XT6475000 |
| R-Sätze (R) | 22 |
| Gefahrensymbole | Xn |
| Sicherheitshinweise (S) | 23-36/37/39-24/25 |
| Gefahrenklasse | 6.1Acute Tox. 4 Oral |
| Verpackungsgruppe | III |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
2-Chloroethyl p-toluenesulfonate was used to develop method for the determination of a variety of hydrophobic aromatic sulfonates by micellar electrokinetic chromatography.