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Naphthalin-2-sulfonylchlorid
NAPHTHALENE-2-SULFONYL CHLORIDE · NAPHTHALENE-2-SULPHONYL CHLORIDE · ene-2-suL · AKOS B022434 · ART-CHEM-BB B022434 · 2-Naphthalenesulfony · b-Naphthalenesulfochloride · 2-Naphthesulfonyl chloride
Identifikatoren & physikalische Daten
| CAS No. | 93-11-8 |
|---|---|
| Summenformel | C10H7ClO2S |
| Durchschnittliche Molmasse | 226,68 g/mol |
| Monoisotopische Masse | 225,98552814 g/mol |
| SMILES | O=S(=O)(Cl)c1ccc2ccccc2c1 |
| InChIKey | OPECTNGATDYLSS-UHFFFAOYSA-N |
| PubChem CID | 7125 |
| EC No. | 202-219-9 |
| DTXSID | DTXSID5059080 |
| Lokaler Name | Naphthalin-2-sulfonylchlorid |
Chemische & physikalische Eigenschaften
| XLogP | 1,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 42,5 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 14 |
| Formalladung | 0 |
| Komplexität | 294 |
| SpringerMaterials Properties | Diamagnetic susceptibility |
| Schmelzpunkt | 74-76 °C (lit.) |
| Siedepunkt | 147.7 °C/0.6 mmHg (lit.) |
| Dichte | 1.3661 (estimate) |
| Dampfdruck | 0.004Pa at 25℃ |
| Flammpunkt | 200-202°C/13mm |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Löslichkeit | soluble in Tolueneinsoluble |
| Aggregatzustand | Powder |
| Farbe | Light yellow to beige |
| BRN | 641898 |
| InChI | 1S/C10H7ClO2S/c11-14(12,13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H |
| InChIKey | OPECTNGATDYLSS-UHFFFAOYSA-N |
| SMILES | ClS(=O)(=O)c1ccc2ccccc2c1 |
| LogP (Verteilungskoeffizient) | 2.2 at 25℃ |
| CAS Datenbank | 93-11-8(CAS DataBase Reference) |
| NIST chemische Informationen | 2-Naphthalenesulfonyl chloride(93-11-8) |
| EPA chemische Informationen | 2-Naphthalenesulfonyl chloride (93-11-8) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH314 (80.3%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P264, P273, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P332+P317, P362+P364, P363, P391, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 66 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Status: Active Update: 20-03-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/208662-Naphthalenesulphonyl chloride: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Skin Corr. 1B (80.3%) |
| F | 21 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 3261 8/PG 2 |
| Zollcode | 29049020 |
| R-Sätze (R) | 34 |
| Gefahrensymbole | C |
| Sicherheitshinweise (S) | 26-36/37/39-45-27 |
| Gefahrenklasse | 8Eye Dam. 1Met. Corr. 1Skin Corr. 1B |
| Verpackungsgruppe | II |
| Lagerklasse | 8A - Combustible corrosive hazardous materials |
Anwendungen & Verwendung
Verwenden
2-Naphthalenesulfonyl chloride was employed as capping reagent for primary amine to convert histamine to a selective histamine H3-receptor antagonist. It was used for pre-column derivatization during the high-performance liquid chromatographic assay of neomycin sulfate.