HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2-Cyanobenzenesulfonyl Chloride
BUTTPARK 33\11-76 · 2-Cyanobenzenesulpho · 2-Cyanobenzene-1-suL · 2-Cyanobenzenesulphonylchlor · 2-CYANOPHENYLSULFONYL CHLORIDE · 2-CYANOBENZENESULFONYL CHLORIDE · o-Cyanobenzenesulfonyl Chloride · 2-CYANOBENZENESULPHONYL CHLORIDE
Identifikatoren & physikalische Daten
| CAS No. | 69360-26-5 |
|---|---|
| Summenformel | C7H4ClNO2S |
| Durchschnittliche Molmasse | 201,63 g/mol |
| Monoisotopische Masse | 200,96512705 g/mol |
| SMILES | N#Cc1ccccc1S(=O)(=O)Cl |
| InChIKey | NQAYCMBZPAARNO-UHFFFAOYSA-N |
| PubChem CID | 522347 |
| ChEMBL | CHEMBL5022894 |
| EC No. | 627-774-8 |
| DTXSID | DTXSID70334925 |
Chemische & physikalische Eigenschaften
| XLogP | 1,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 66,3 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 297 |
| Schmelzpunkt | 65-69 °C (lit.) |
| Siedepunkt | 350.9±25.0 °C(Predicted) |
| Dichte | 1.53±0.1 g/cm3(Predicted) |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| Aggregatzustand | powder to crystal |
| Farbe | White to Light yellow to Light orange |
| BRN | 2721588 |
| InChI | 1S/C7H4ClNO2S/c8-12(10,11)7-4-2-1-3-6(7)5-9/h1-4H |
| InChIKey | NQAYCMBZPAARNO-UHFFFAOYSA-N |
| SMILES | ClS(=O)(=O)c1ccccc1C#N |
| CAS Datenbank | 69360-26-5(CAS DataBase Reference) |
| NIST chemische Informationen | 2-Cyanobenzenesulfonyl chloride(69360-26-5) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (10.6%): Harmful if swallowed [Warning Acute toxicity, oral]P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 47 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (10.6%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 1759 8/PG 2 |
| Zollcode | 29269090 |
| R-Sätze (R) | 34 |
| Gefahrensymbole | C |
| hazard_note | Corrosive |
| Sicherheitshinweise (S) | 26-36/37/39-45 |
| Gefahrenklasse | 8Skin Corr. 1B |
| Verpackungsgruppe | II |
| Lagerklasse | 8A - Combustible corrosive hazardous materials |
Anwendungen & Verwendung
Verwenden
2-Cyanobenzenesulfonyl chloride may be used in the synthesis of:2-butyl-5-(2-cyanophenyl)furan2-(2-cyanophenyl)-3,6-dimethyl-4,5,6,7-tetrahydrobenzofuran5-thia-4b,10-diaza-indeno[2,1-a]indene-5,5-dioxide1-methyl-2-(2-cyanophenyl)pyrrole