HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4-methoxybenzolsulfonylchlorid
4-METHOXYBENZENESULPHONYL CHLORIDE · AKOS BBS-00004473 · 4-MethoxybenzenesuL · 4-Methoxybenzenesulf · p-Anisylsulfonyl chloride · 4-METHOXYBENZENESULPHONYL · P-ANISOLESULFONYL CHLORIDE · 4-(Chlorosulphonyl)anisole
Identifikatoren & physikalische Daten
| CAS No. | 98-68-0 |
|---|---|
| Summenformel | C7H7ClO3S |
| Durchschnittliche Molmasse | 206,65 g/mol |
| Monoisotopische Masse | 205,98044276 g/mol |
| SMILES | COc1ccc(S(=O)(=O)Cl)cc1 |
| InChIKey | DTJVECUKADWGMO-UHFFFAOYSA-N |
| PubChem CID | 7401 |
| EC No. | 202-692-1 |
| DTXSID | DTXSID50243364 |
| Lokaler Name | 4-methoxybenzolsulfonylchlorid |
Chemische & physikalische Eigenschaften
| XLogP | 1,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 51,8 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 224 |
| SpringerMaterials Properties | Dielectric constant |
| Schmelzpunkt | 39-42 °C(lit.) |
| Siedepunkt | 173 °C14 mm Hg(lit.) |
| Dichte | 1.3836 (estimate) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | DMSO (Slightly), sol acetone, acetonitrile, EtOH, MeOH, dioxane, H2Odecomposes |
| Aggregatzustand | Crystalline Solid |
| Farbe | White to beige |
| BRN | 609005 |
| Stabilität | Moisture Sensitive |
| InChI | InChI=1S/C7H7ClO3S/c1-11-6-2-4-7(5-3-6)12(8,9)10/h2-5H,1H3 |
| InChIKey | DTJVECUKADWGMO-UHFFFAOYSA-N |
| SMILES | C1(S(Cl)(=O)=O)=CC=C(OC)C=C1 |
| CAS Datenbank | 98-68-0(CAS DataBase Reference) |
| NIST chemische Informationen | P-methoxybenzenesulfonyl chloride(98-68-0) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 49 reports by companies from 3 notifications to the ECHA C&L Inventory. |
|---|---|
| Regulatorische Informationen | 4-Methoxybenzenesulphonyl chloride: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Skin Corr. 1B (100%) |
| F | 10-21 |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 3261 8/PG 2 |
| Zollcode | 29093090 |
| R-Sätze (R) | 34-29 |
| Gefahrensymbole | C |
| hazard_note | Corrosive/Moisture Sensitive |
| Sicherheitshinweise (S) | 26-36/37/39-45-28A-27 |
| Gefahrenklasse | 8Skin Corr. 1B |
| Verpackungsgruppe | II |
| Lagerklasse | 8A - Combustible corrosive hazardous materials |
Anwendungen & Verwendung
Verwenden
4-Methoxybenzenesulfonyl chloride is used as an anti-HIV as Pharmaceutical Intermediates. It also acts as protecting group agent for various nitrogen functions.