HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 61728613Erstellt: 25. Oktober 2026
4-Trifluoromethanesulfonylbenzene-1-sulfonyl chloride
4-((Trifluoromethyl)sulfonyl)benzenesulfonyl chloride · 4-trifluoromethanesulfonylbenzene-1-sulfonyl chloride · 4-[(Trifluoromethyl)sulfonyl]-1-benzenesulfonyl Chloride · Benzenesulfonyl chloride, 4-[(trifluoromethyl)sulfonyl]-
https://huagongshe.com/de/chemical/61728613
Identifikatoren & physikalische Daten
| CAS No. | 63647-64-3 |
|---|
| Summenformel | C7H4ClF3O4S2 |
|---|
| Durchschnittliche Molmasse | 308,7 g/mol |
|---|
| Monoisotopische Masse | 307,91916295 g/mol |
|---|
| SMILES | O=S(=O)(Cl)c1ccc(S(=O)(=O)C(F)(F)F)cc1 |
|---|
| InChIKey | PGNBXFXYMQFHLQ-UHFFFAOYSA-N |
|---|
| PubChem CID | 61728613 |
|---|
| EC No. | 973-538-5 |
|---|
| DTXSID | DTXSID80734275 |
|---|
Chemische & physikalische Eigenschaften
| XLogP | 2,7 |
|---|
| Polarare Oberfläche (TPSA) | 85 |
|---|
| H-Brücken-Donoren | 0 |
|---|
| H-Brücken-Akzeptoren | 7 |
|---|
| Frei drehbare Bindungen | 2 |
|---|
| Schwere Atome | 17 |
|---|
| Formalladung | 0 |
|---|
| Komplexität | 463 |
|---|
| Lagerbedingungen | 2-8°C |
|---|
| Aggregatzustand | powder or crystals |
|---|
| Farbe | white to yellow |
|---|
| InChI | InChI=1S/C7H4ClF3O4S2/c8-17(14,15)6-3-1-5(2-4-6)16(12,13)7(9,10)11/h1-4H |
|---|
| InChIKey | PGNBXFXYMQFHLQ-UHFFFAOYSA-N |
|---|
| SMILES | O=S(=O)(Cl)C1=CC=C(C=C1)S(=O)(=O)C(F)(F)F |
|---|
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2 reports by companies from 1 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) | WGK 3 |
|---|
| Lagerklasse | 11 - Combustible Solids |
|---|