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2,4-Dinitrobenzolsulfonylchlorid
2,4-DinitrobenzenesuL · 2,4-Dinitrobenzenesulfonylchl · 4-Dinitrobenzenesulfonyl chloride · 2,4-Dinitrophenylsulfonyl chloride · 2,4-dinitro-benzenesulfonylchlorid · 2,4-DINITROBENZENESULFONYL CHLORIDE · 2,4-DINITROBENZENESULPHONYL CHLORIDE · Benzenesulfonyl chloride, 2,4-dinitro-
Identifikatoren & physikalische Daten
| CAS No. | 1656-44-6 |
|---|---|
| Summenformel | C6H3ClN2O6S |
| Durchschnittliche Molmasse | 266,62 g/mol |
| Monoisotopische Masse | 265,9400345 g/mol |
| SMILES | O=[N+]([O-])c1ccc(S(=O)(=O)Cl)c([N+](=O)[O-])c1 |
| InChIKey | SSFSNKZUKDBPIT-UHFFFAOYSA-N |
| PubChem CID | 74255 |
| EC No. | 216-749-3 |
| DTXSID | DTXSID2061854 |
| Lokaler Name | 2,4-Dinitrobenzolsulfonylchlorid |
Chemische & physikalische Eigenschaften
| XLogP | 1,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 134 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 6 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 16 |
| Formalladung | 0 |
| Komplexität | 393 |
| SpringerMaterials Properties | Nuclear quadrupole resonance spectroscopy |
| Schmelzpunkt | 101-103 °C (lit.) |
| Siedepunkt | 60-80 °C |
| Dichte | 1.780 |
| Lagerbedingungen | -20°C Freezer |
| Löslichkeit | Chloroform (Slightly)Reacts with water. |
| Aggregatzustand | Solid |
| Farbe | Light Yellow Crystalline |
| BRN | 2147583 |
| Stabilität | Hygroscopic |
| InChI | 1S/C6H3ClN2O6S/c7-16(14,15)6-2-1-4(8(10)11)3-5(6)9(12)13/h1-3H |
| InChIKey | SSFSNKZUKDBPIT-UHFFFAOYSA-N |
| SMILES | [O-][N+](=O)c1ccc(c(c1)[N+]([O-])=O)S(Cl)(=O)=O |
| CAS Datenbank | 1656-44-6(CAS DataBase Reference) |
| EPA chemische Informationen | Benzenesulfonyl chloride, 2,4-dinitro- (1656-44-6) |
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 46 reports by companies from 3 notifications to the ECHA C&L Inventory. |
|---|---|
| Regulatorische Informationen | Benzenesulfonyl chloride, 2,4-dinitro-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right. |
| 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 | 2904990090 |
| R-Sätze (R) | 34-65-48/23/24/25-46-45-48/20/21/22 |
| Gefahrensymbole | T,C |
| Sicherheitshinweise (S) | 53-26-36/37/39-45-62 |
| Gefahrenklasse | 8Carc. 1AEye Dam. 1Muta. 1BSkin Corr. 1BSTOT RE 2 |
| Verpackungsgruppe | II |
| Lagerklasse | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
Anwendungen & Verwendung
Verwenden
2,4-Dinitrobenzenesulfonyl chloride was used to protect primary amines. It was used as starting reagent in the synthesis of tert-butyl 2-[(2,4-dinitrophenyl) sulfonyl]amino acetate.