HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4-Chlor-3-nitrobenzolsulfonylchlorid
Yel · 4-CHLORO-3-NITROBENZENESULPHONYL CHLORIDE · 4-CHLORO-3-NITROBENZENE-1-SULFONYL CHLORIDE · 4-Chloro-3-nitrobenz · YELLOW SULFON CHLORIDE · 3-Nitro-4-chlorobenzensulfonyl · 4-Chloro-3-nitrobenzenesulfonyl · 3-nitro-4-chlorosulfonyl chloride
Identifikatoren & physikalische Daten
| CAS No. | 97-08-5 |
|---|---|
| Summenformel | C6H3Cl2NO4S |
| Durchschnittliche Molmasse | 256,06 g/mol |
| Monoisotopische Masse | 254,91598394 g/mol |
| SMILES | O=[N+]([O-])c1cc(S(=O)(=O)Cl)ccc1Cl |
| InChIKey | SEWNAJIUKSTYOP-UHFFFAOYSA-N |
| PubChem CID | 7323 |
| EC No. | 202-558-2 |
| DTXSID | DTXSID2059148 |
| Lokaler Name | 4-Chlor-3-nitrobenzolsulfonylchlorid |
Chemische & physikalische Eigenschaften
| XLogP | 2,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 88,3 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 14 |
| Formalladung | 0 |
| Komplexität | 320 |
| SpringerMaterials Properties | Nuclear quadrupole resonance spectroscopy |
| Schmelzpunkt | 59-60 °C (lit.) |
| Siedepunkt | 356°C (rough estimate) |
| Dichte | 1.696 (estimate) |
| Brechungsindex | 1.6000 (estimate) |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Löslichkeit | soluble in Toluene |
| Aggregatzustand | Crystalline Powder |
| Farbe | Light brown |
| BRN | 1978600 |
| InChI | 1S/C6H3Cl2NO4S/c7-5-2-1-4(14(8,12)13)3-6(5)9(10)11/h1-3H |
| InChIKey | SEWNAJIUKSTYOP-UHFFFAOYSA-N |
| SMILES | [O-][N+](=O)c1cc(ccc1Cl)S(Cl)(=O)=O |
| CAS Datenbank | 97-08-5(CAS DataBase Reference) |
| NIST chemische Informationen | Benzenesulfonyl chloride, 4-chloro-3-nitro-(97-08-5) |
| EPA chemische Informationen | Benzenesulfonyl chloride, 4-chloro-3-nitro- (97-08-5) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 50 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Status: Active Update: 22-03-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/32333 |
| Hazard Classes and Categories | Skin Corr. 1B (100%) |
| 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) | 26-27-28-36/37/39-45-8-30-22 |
| Gefahrenklasse | 8Eye Dam. 1Skin Corr. 1B |
| Verpackungsgruppe | II |
| Lagerklasse | 8A - Combustible corrosive hazardous materials |
Anwendungen & Verwendung
Verwenden
4-Chloro-3-nitrobenzenesulfonyl Chloride is used in the synthesis of novel sulfonamide derivatives of tricyclic thieno[2,3-d]pyrimidin-4(3H)-ones which increases melanin synthesis in murine B16 cells.