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2-Nitrobenzolsulfonylchlorid
O-NITROBENZENESULFONYL CHLORIDE · o-Ns-Cl · 2-NitrobenzenesuL · o-Nitro Sulfo Chloride · 2-Nitro-benzenesulfonyl · 2-Nitrophenylsulfonyl chloride · 2-NITROBENZENESULPHONYL CHLORIDE · Ortho Nitro Sulfo Chloride
Identifikatoren & physikalische Daten
| CAS No. | 1694-92-4 |
|---|---|
| Summenformel | C6H4ClNO4S |
| Durchschnittliche Molmasse | 221,62 g/mol |
| Monoisotopische Masse | 220,95495629 g/mol |
| SMILES | O=[N+]([O-])c1ccccc1S(=O)(=O)Cl |
| InChIKey | WPHUUIODWRNJLO-UHFFFAOYSA-N |
| PubChem CID | 15540 |
| EC No. | 216-907-1 |
| DTXSID | DTXSID4061888 |
| Lokaler Name | 2-Nitrobenzolsulfonylchlorid |
Chemische & physikalische Eigenschaften
| XLogP | 1,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 88,3 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 291 |
| Stoffklassen | Nitrogen Compounds -> Other Aromatics (Nitrogen) |
| SpringerMaterials Properties | Crystal structure |
| Physical Description | Light yellow crystalline solid[Sigma-Aldrich MSDS] |
| Schmelzpunkt | 63-67 °C(lit.) |
| Siedepunkt | 350.6±25.0 °C(Predicted) |
| Dichte | 1.606±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Store below +30°C. |
| Aggregatzustand | powder to crystal |
| Farbe | White to Yellow to Orange |
| Löslichkeit | Soluble in toluene, tetrahydrofuran, methylene chloride, ethyl acetate and dimethylformamide. Insoluble in water. |
| BRN | 521155 |
| InChI | InChI=1S/C6H4ClNO4S/c7-13(11,12)6-4-2-1-3-5(6)8(9)10/h1-4H |
| InChIKey | WPHUUIODWRNJLO-UHFFFAOYSA-N |
| SMILES | C1(S(Cl)(=O)=O)=CC=CC=C1[N+]([O-])=O |
| CAS Datenbank | 1694-92-4(CAS DataBase Reference) |
| EPA chemische Informationen | Benzenesulfonyl chloride, 2-nitro- (1694-92-4) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (41.1%): Harmful if swallowed [Warning Acute toxicity, oral]P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 90 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Status: Active Update: 01-07-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/29449 |
| Gefahrenübersicht | Causes burnsInhalation may cause corrosive injuries to upper respiratory tract and lungs[Sigma-Aldrich MSDS] See Nitrobenzene and Benzenesulfonyl chloride. |
| Hazard Classes and Categories | Acute Tox. 4 (41.1%) |
| Unerwünschte Wirkungen | Dermatotoxin - Skin burns. |
| F | 21 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 3261 8/PG 2 |
| Zollcode | 29049090 |
| R-Sätze (R) | 34 |
| Gefahrensymbole | C |
| hazard_note | Corrosive/Moisture Sensitive |
| Sicherheitshinweise (S) | 26-36/37/39-45 |
| Gefahrenklasse | 8Eye Dam. 1Skin Corr. 1B |
| Verpackungsgruppe | II |
| Lagerklasse | 4.1A - Other explosive hazardous materials |
Anwendungen & Verwendung
Verwenden
2-Nitrobenzenesulfonyl chloride acts as a reagent to form 2-nitrobenzenesulfonyl derivatives of alcohols and amines. It is also involved in the selective cleavage with thiophenol without displacement of the nitro group. Further, it is used in the preparation of renin inhibitors. In addition to this, it finds application as an anticonvulsant.