HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
3-Nitrobenzolsulfonylchlorid
m-Nitrop · 3-NitrobenzenesuL · 3-Nitrobenzenesulfon · Zidovudine impurity L · 5-Chloro-2H-benzotriazole · m-Nitrosulphonyl chloride · Nitro Benzene Sulphonamide · m-Nitrobenzenesulfonylchlori
Identifikatoren & physikalische Daten
| CAS No. | 121-51-7 |
|---|---|
| Summenformel | C6H4ClNO4S |
| Durchschnittliche Molmasse | 221,62 g/mol |
| Monoisotopische Masse | 220,9549565 g/mol |
| SMILES | O=[N+]([O-])c1cccc(S(=O)(=O)Cl)c1 |
| InChIKey | MWWNNNAOGWPTQY-UHFFFAOYSA-N |
| PubChem CID | 8476 |
| EC No. | 204-476-2 |
| DTXSID | DTXSID6059526 |
| Lokaler Name | 3-Nitrobenzolsulfonylchlorid |
Chemische & physikalische Eigenschaften
| XLogP | 1,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 88,3 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 291 |
| Schmelzpunkt | 61-62 °C(lit.) |
| Siedepunkt | approximate 341℃ |
| Dichte | 1.602 (estimate) |
| Brechungsindex | 1.6000 (estimate) |
| Flammpunkt | >110°C |
| Lagerbedingungen | Store below +30°C. |
| Aggregatzustand | Crystalline Powder |
| Farbe | Light beige to yellow |
| Löslichkeit | Decomposes |
| BRN | 746542 |
| InChI | 1S/C6H4ClNO4S/c7-13(11,12)6-3-1-2-5(4-6)8(9)10/h1-4H |
| InChIKey | MWWNNNAOGWPTQY-UHFFFAOYSA-N |
| SMILES | [O-][N+](=O)c1cccc(c1)S(Cl)(=O)=O |
| CAS Datenbank | 121-51-7(CAS DataBase Reference) |
| NIST chemische Informationen | M-nitrobenzene sulfonyl chloride(121-51-7) |
| EPA chemische Informationen | Benzenesulfonyl chloride, 3-nitro- (121-51-7) |
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 58 reports by companies from 4 notifications to the ECHA C&L Inventory.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Hazard Classes and Categories | Skin Corr. 1B (100%) |
| F | 21 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 3261 8/PG 2 |
| Zollcode | 29049090 |
| R-Sätze (R) | 34-29-14 |
| Gefahrensymbole | C |
| hazard_note | Corrosive |
| Sicherheitshinweise (S) | 26-36/37/39-45-8 |
| Gefahrenklasse | 8Eye Dam. 1Skin Corr. 1B |
| Verpackungsgruppe | II |
| Lagerklasse | 8A - Combustible corrosive hazardous materials |
Anwendungen & Verwendung
Verwenden
It is employed as a biochemical for proteomics research. It is also used in the preparation of: acyl-2-aminobenzimidazole analogs and 6-chloro-2-methyl-3-{1-[(3-nitrophenyl)sulfonyl]-1H-pyrazol-3-yl}imidazo[1,2-a]pyridine.