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2-Phthalimidoethanesulfonyl chloride
2-(1,3-dioxoisoindolin-2-yl)ethane-1-sulfonyl chloride · AKOS MSC-0752 · AKOS BBS-00004578 · 2-Phthalimidoethanesulfonyl chlorid · 2-Phthalimidoethanesulfonyl chloride · 2-Phthalimidoethanesulfonyl chloride - [P3032] · 2H-Isoindole-2-ethanesulfonyl chloride, 1,3-dihydro-1,3-dioxo- · 2-(1,3-DIOXO-1,3-DIHYDRO-ISOINDOL-2-YL)-ETHANESULFONYL CHLORIDE
Identifikatoren & physikalische Daten
| CAS No. | 4403-36-5 |
|---|---|
| Summenformel | C10H8ClNO4S |
| Durchschnittliche Molmasse | 273,69 g/mol |
| Monoisotopische Masse | 272,98625642 g/mol |
| SMILES | O=C1c2ccccc2C(=O)N1CCS(=O)(=O)Cl |
| InChIKey | HCPVYBCAYPMANM-UHFFFAOYSA-N |
| PubChem CID | 308739 |
| EC No. | 610-161-4 |
| DTXSID | DTXSID10309016 |
Chemische & physikalische Eigenschaften
| XLogP | 1,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 79,9 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 17 |
| Formalladung | 0 |
| Komplexität | 418 |
| Schmelzpunkt | 158-163℃ |
| Siedepunkt | 416.5±28.0 °C(Predicted) |
| Dichte | 1.585±0.06 g/cm3(Predicted) |
| Dampfdruck | 0-0Pa at 20-50℃ |
| Lagerbedingungen | 2-8°C |
| pKa (Säurekonstante) | -2.47±0.20(Predicted) |
| Aggregatzustand | Slurry |
| Farbe | Yellow to orange to brown |
| Löslichkeit | Reacts with water. |
| Stabilität | Hygroscopic, Moisture Sensitive |
| InChI | 1S/C10H8ClNO4S/c11-17(15,16)6-5-12-9(13)7-3-1-2-4-8(7)10(12)14/h1-4H,5-6H2 |
| InChIKey | HCPVYBCAYPMANM-UHFFFAOYSA-N |
| SMILES | ClS(=O)(=O)CCN1C(=O)c2ccccc2C1=O |
| LogP (Verteilungskoeffizient) | 1.12-2.44 at 25℃ |
| CAS Datenbank | 4403-36-5(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH314 (92.3%): 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 52 reports by companies from 7 notifications to the ECHA C&L Inventory. |
|---|---|
| Regulatorische Informationen | Status: Active Update: 14-03-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/28001 |
| Hazard Classes and Categories | Skin Corr. 1B (92.3%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | 3261 |
| Zollcode | 29251900 |
| R-Sätze (R) | 34 |
| Gefahrensymbole | Xi,C |
| Sicherheitshinweise (S) | 26-36/37/39-45-60 |
| Gefahrenklasse | 8Skin Sens. 1 |
| Verpackungsgruppe | II |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
2-(Phthalimido)ethanesulfonyl chloride is an important raw material and intermediate used in pharmaceuticals, agro based and dye stuff fields.