HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4-Chlorobenzenesulfonyl isocyanate
CPSl · 4-Chlorophenylsulfonyl isocyanate · 4-CHLOROBENZENSULFONYL ISOCYANATE · P-CHLOROBENZENESULFONYL ISOCYANATE · 4-CHLOROBENZENESULFONYL ISOCYANATE · 4-CHLOROBENZENESULPHONYL ISOCYANATE · (4-Chlorophenylsulfonyl) isocyanate · 4-Chlorobenzenesulfonylisocyanate,97%
Identifikatoren & physikalische Daten
| CAS No. | 5769-15-3 |
|---|---|
| Summenformel | C7H4ClNO3S |
| Durchschnittliche Molmasse | 217,63 g/mol |
| Monoisotopische Masse | 216,96004167 g/mol |
| SMILES | O=C=NS(=O)(=O)c1ccc(Cl)cc1 |
| InChIKey | JGHDVROWMPBQSR-UHFFFAOYSA-N |
| PubChem CID | 138587 |
| EC No. | 623-562-4 |
| DTXSID | DTXSID60206389 |
Chemische & physikalische Eigenschaften
| XLogP | 2,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 72 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 307 |
| Siedepunkt | 121 °C/0.5 mmHg (lit.) |
| Dichte | 1.457 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.558(lit.) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Refrigerator (+4°C) + Flammables area |
| BRN | 516520 |
| InChI | 1S/C7H4ClNO3S/c8-6-1-3-7(4-2-6)13(11,12)9-5-10/h1-4H |
| InChIKey | JGHDVROWMPBQSR-UHFFFAOYSA-N |
| SMILES | Clc1ccc(cc1)S(=O)(=O)N=C=O |
| CAS Datenbank | 5769-15-3(CAS DataBase Reference) |
| NIST chemische Informationen | 4-Chlorobenzenesulfonyl isocyanate(5769-15-3) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P233, P260, P261, P264, P270, P271, P280, P284, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P342+P316, P362+P364, P363, P403, 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 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 3265 8/PG 1 |
| Zollcode | 29350090 |
| R-Sätze (R) | 20/21/22-34-10 |
| Gefahrensymbole | C |
| Sicherheitshinweise (S) | 26-27-36/37/39-45-25-16 |
| Gefahrenklasse | 8Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Dam. 1Resp. Sens. 1Skin Corr. 1BSkin Sens. 1 |
| Verpackungsgruppe | II |
| Lagerklasse | 8A - Combustible corrosive hazardous materials |
Anwendungen & Verwendung
Verwenden
4-Chlorobenzenesulfonyl isocyanate is a useful intermediate for organic synthesis and other chemical processes.