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Phenylsulfonylisocyanat
Isocyanatosulfonylbenzene · Phenylsulfonyl isocyanate. · phenylsulphonyl isocyanate · BENZENESULFONYL ISOCYANATE · BENZENESULPHONYL ISOCYANATE · (Isocyanatosulfonyl)benzene · Benzenesulfonyl isocyanate,95% · Benzenesulfonyl isocyanate 95%
Identifikatoren & physikalische Daten
| CAS No. | 2845-62-7 |
|---|---|
| Summenformel | C7H5NO3S |
| Durchschnittliche Molmasse | 183,19 g/mol |
| Monoisotopische Masse | 182,99901402 g/mol |
| SMILES | O=C=NS(=O)(=O)c1ccccc1 |
| InChIKey | UJYAZVSPFMJCLW-UHFFFAOYSA-N |
| PubChem CID | 76096 |
| EC No. | 220-640-6 |
| DTXSID | DTXSID50182648 |
| Lokaler Name | Phenylsulfonylisocyanat |
Chemische & physikalische Eigenschaften
| XLogP | 2,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 72 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 278 |
| SpringerMaterials Properties | Chemical shift |
| Siedepunkt | 130 °C9 mm Hg(lit.) |
| Dichte | 1.369 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.536(lit.) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | sol chlorinated, aromatic, and ethereal solventsreacts violently with H2O, basic and protic solvents. |
| Aggregatzustand | clear liquid |
| Farbe | Colorless to Almost colorless |
| BRN | 743441 |
| InChI | 1S/C7H5NO3S/c9-6-8-12(10,11)7-4-2-1-3-5-7/h1-5H |
| InChIKey | UJYAZVSPFMJCLW-UHFFFAOYSA-N |
| SMILES | O=C=NS(=O)(=O)c1ccccc1 |
| CAS Datenbank | 2845-62-7(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (97.7%): Harmful if swallowed [Warning Acute toxicity, oral]P233, P260, P261, P264, P264+P265, P270, P271, P272, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (97.7%) |
| F | 10-19-21 |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 2922 8/PG 1 |
| Zollcode | 29291000 |
| R-Sätze (R) | 20/22-36/38-42 |
| Gefahrensymbole | Xn |
| Sicherheitshinweise (S) | 23-26-36 |
| Gefahrenklasse | 6.1Acute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Resp. Sens. 1Skin Irrit. 2Skin Sens. 1 |
| Verpackungsgruppe | II |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
Benzenesulfonyl isocyanate was used in synthesis of sterically hindered derivatives of phenols and alcohols. It was also used in the reaction of semi crystalline poly(ether ether ketone) films with carbonyl selective reagents to produce modified film samples.