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5-Dimethylaminonaphthalin-1-sulfonylchlorid
DNS · dansyl · DNSCL · 5-DIMETHYLAMINO-1-NAPHTHALENESULFONYL CHLORIDE · SKL100 · AI301174 · AI3 01174 · AI3-01174
Identifikatoren & physikalische Daten
| CAS No. | 605-65-2 |
|---|---|
| Summenformel | C12H12ClNO2S |
| Durchschnittliche Molmasse | 269,75 g/mol |
| Monoisotopische Masse | 269,0277275 g/mol |
| SMILES | CN(C)c1cccc2c(S(=O)(=O)Cl)cccc12 |
| InChIKey | XPDXVDYUQZHFPV-UHFFFAOYSA-N |
| PubChem CID | 11801 |
| ChEBI | CHEBI:51907 |
| EC No. | 210-092-6 |
| DTXSID | DTXSID2060543 |
| Lokaler Name | 5-Dimethylaminonaphthalin-1-sulfonylchlorid |
Chemische & physikalische Eigenschaften
| XLogP | 3,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 45,8 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 17 |
| Formalladung | 0 |
| Komplexität | 363 |
| Schmelzpunkt | 72-74 °C(lit.) |
| Siedepunkt | 371.3±22.0 °C(Predicted) |
| Dichte | 1.1702 (rough estimate) |
| Brechungsindex | 1.5630 (estimate) |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | acetone: 50 mg/mLSoluble in dimethyl fluoride, acetone, chloroform, pyridine, benzene and dioxane. Insoluble in water. |
| Aggregatzustand | powder and chunks |
| pKa (Säurekonstante) | 2.38±0.40(Predicted) |
| Farbe | yellow to orange |
| Merck | 14,2814 |
| BRN | 2217205 |
| Stabilität | Hygroscopic, Moisture Sensitive |
| InChI | 1S/C12H12ClNO2S/c1-14(2)11-7-3-6-10-9(11)5-4-8-12(10)17(13,15)16/h3-8H,1-2H3 |
| InChIKey | XPDXVDYUQZHFPV-UHFFFAOYSA-N |
| SMILES | CN(C)c1cccc2c(cccc12)S(Cl)(=O)=O |
| CAS Datenbank | 605-65-2(CAS DataBase Reference) |
| EPA chemische Informationen | 1-Naphthalenesulfonyl chloride, 5-(dimethylamino)- (605-65-2) |
Sicherheit & Vorschriften
| F | 10-21 |
|---|---|
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 3261 8/PG 2 |
| Zollcode | 29214980 |
| RTECS-Nr. | QK3688000 |
| R-Sätze (R) | 34 |
| Gefahrensymbole | C |
| Sicherheitshinweise (S) | 26-36/37/39-45-3 |
| Gefahrenklasse | 8Eye Dam. 1Met. Corr. 1Skin Corr. 1B |
| Verpackungsgruppe | III |
| Lagerklasse | 8A - Combustible corrosive hazardous materials |
Anwendungen & Verwendung
Verwenden
Dansyl chloride is a fluorogenic reagent used for protein, N-terminal amino acid and peptide detection by reverse phase high performance liquid chromatography (HPLC). It is also used to determine the degree of labeling in chymotrypsin and ovalbumin. It acts as a precursor for the synthesis of other derivatives like dansyl amide.