HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4-Nitrobenzolsulfonylchlorid
NsCl · 4-NITROBENZENE-1-SULFONYL CHLORIDE · P-NITROBENZENESULFONYL CHLORIDE · p-Nitrophenylsulfonyl chloride · 4-NITROBENZENESULPHONYL CHLORIDE · Nosylchloride · 4-NSCl, 99%min · 4-NitrobenzenesuL
Identifikatoren & physikalische Daten
| CAS No. | 98-74-8 |
|---|---|
| Summenformel | C6H4ClNO4S |
| Durchschnittliche Molmasse | 221,62 g/mol |
| Monoisotopische Masse | 220,95495629 g/mol |
| SMILES | O=[N+]([O-])c1ccc(S(=O)(=O)Cl)cc1 |
| InChIKey | JXRGUPLJCCDGKG-UHFFFAOYSA-N |
| PubChem CID | 7404 |
| ChEMBL | CHEMBL4753649 |
| EC No. | 202-697-9 |
| DTXSID | DTXSID4059178 |
| Lokaler Name | 4-Nitrobenzolsulfonylchlorid |
Chemische & physikalische Eigenschaften
| XLogP | 2,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 88,3 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 283 |
| Stoffklassen | Nitrogen Compounds -> Other Aromatics (Nitrogen) |
| SpringerMaterials Properties | Chemical shift |
| Physical Description | Light yellow crystalline powder[Alfa Aesar MSDS] |
| Schmelzpunkt | 75 °C |
| Siedepunkt | 143-144 °C (1.5002 mmHg) |
| Dichte | 1.602 (estimate) |
| Dampfdruck | 0.009Pa at 20℃ |
| Brechungsindex | 1.6000 (estimate) |
| Flammpunkt | 143-144°C/1.5mm |
| Lagerbedingungen | Store below +30°C. |
| Löslichkeit | soluble in TolueneInsoluble |
| Aggregatzustand | Powder |
| Farbe | yellow |
| pH | 1 (H2O, 20℃) |
| BRN | 746543 |
| Stabilität | Moisture Sensitive |
| InChI | 1S/C6H4ClNO4S/c7-13(11,12)6-3-1-5(2-4-6)8(9)10/h1-4H |
| InChIKey | JXRGUPLJCCDGKG-UHFFFAOYSA-N |
| SMILES | [O-][N+](=O)c1ccc(cc1)S(Cl)(=O)=O |
| LogP (Verteilungskoeffizient) | 2.1 at 20℃ |
| CAS Datenbank | 98-74-8(CAS DataBase Reference) |
| NIST chemische Informationen | 4-Nitrobenzenesulphonyl chloride(98-74-8) |
| EPA chemische Informationen | Benzenesulfonyl chloride, 4-nitro- (98-74-8) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 1.5% (1 of 67) of reports.DangerH314 (95.5%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P261, P264, P272, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P333+P317, P362+P364, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 67 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Status: Cease Manufacture Update: 07-12-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/274004-Nitrobenzenesulphonyl chloride: Does not have an individual approval but may be used under an appropriate group standard |
| Gefahrenübersicht | Slowly hydrolyzed by waterCauses burnsInhalation may cause corrosive injuries to upper respiratory tract and lungs[Alfa Aesar MSDS] See 2-Nitrobenzenesulfonyl chloride. |
| Hazard Classes and Categories | Skin Corr. 1B (95.5%) |
| Unerwünschte Wirkungen | Dermatotoxin - Skin burns. |
| F | 21 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 3261 8/PG 2 |
| Zollcode | 29049085 |
| R-Sätze (R) | 34-52/53 |
| Gefahrensymbole | C |
| hazard_note | Corrosive/Moisture Sensitive |
| Sicherheitshinweise (S) | 26-36/37/39-45-61 |
| Gefahrenklasse | 8Eye Dam. 1Repr. 2Skin Sens. 1A |
| Verpackungsgruppe | II |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
4-Nitrobenzenesulfonyl Chloride is used in the preparation of N-Nosyl-α-amino acid for peptide synthesis.