HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Pyridine-3-sulfonyl chloride
3-Pyridine sulphonyl chloride · m-Pyridinesulfonyl chloride · 3-PYRIDINESULFONYL CHLORIDE HYDROCHLORIDE · PYRIDINE-3-SULPHONYL CHLORIDE HYDROCHLORIDE · Vonoprazan-8 · Vonoprazan-029 · TAK438 Impurity 68 · Vonolazan impurity 8
Identifikatoren & physikalische Daten
| CAS No. | 16133-25-8 |
|---|---|
| Summenformel | C5H4ClNO2S |
| Durchschnittliche Molmasse | 177,61 g/mol |
| Monoisotopische Masse | 176,96512705 g/mol |
| SMILES | O=S(=O)(Cl)c1cccnc1 |
| InChIKey | CDRNYKLYADJTMN-UHFFFAOYSA-N |
| PubChem CID | 3164136 |
| EC No. | 688-270-1 |
| DTXSID | DTXSID70936483 |
Chemische & physikalische Eigenschaften
| XLogP | 0,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 55,4 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 196 |
| Schmelzpunkt | 144 °C |
| Siedepunkt | 284℃ |
| Dichte | 1.488 |
| Brechungsindex | n20/D 1.556 |
| Flammpunkt | 126℃ |
| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2-8°C |
| Löslichkeit | Chloroform (Sparingly), Methanol (Slightly) |
| Aggregatzustand | liquid |
| pKa (Säurekonstante) | -1.77±0.11(Predicted) |
| Farbe | Colourless to light yellow |
| Stabilität | Moisture Sensitive |
| InChI | InChI=1S/C5H4ClNO2S/c6-10(8,9)5-2-1-3-7-4-5/h1-4H |
| InChIKey | CDRNYKLYADJTMN-UHFFFAOYSA-N |
| SMILES | C1=NC=CC=C1S(Cl)(=O)=O |
| LogP (Verteilungskoeffizient) | 1.75 |
| CAS Datenbank | 16133-25-8(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 52 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Status: Active Update: 10-10-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/27084 |
| Hazard Classes and Categories | Skin Corr. 1B (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | 3261 |
| Zollcode | 2933399990 |
| R-Sätze (R) | 34-43 |
| Gefahrensymbole | Xi,C |
| Sicherheitshinweise (S) | 26-36/37/39-45 |
| Gefahrenklasse | IRRITANTSkin Corr. 1BSkin Sens. 1 |
| Verpackungsgruppe | Ⅲ |
| Lagerklasse | 8A - Combustible corrosive hazardous materials |
Anwendungen & Verwendung
Verwenden
3-pyridinesulfonyl Chloride is a reagent used in the synthesis of pyrimidine derivatives with anti-proliferative activity against negative breast cancer cells.