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[1,1'-Biphenyl]-4-sulfonylchlorid
BIPHENYL-4-SULFONYL CHLORIDE · SALOR-INT L301086-1EA · 4-(Chlorosulfonyl)biphenyl · Diphenyl sulfonyl chloride · 4-BIPHENYLSULFONYL CHLORIDE · p-Biphenylsulfonyl chloride · 4-BIPHENYLSULPHONYL CHLORIDE · Biphenyl-4-sulphonyl chloride
![Molekülstruktur von [1,1'-Biphenyl]-4-sulfonylchlorid](/img/chemical/74192.png)
Identifikatoren & physikalische Daten
| CAS No. | 1623-93-4 |
|---|---|
| Summenformel | C12H9ClO2S |
| Durchschnittliche Molmasse | 252,72 g/mol |
| Monoisotopische Masse | 252,00117821 g/mol |
| SMILES | O=S(=O)(Cl)c1ccc(-c2ccccc2)cc1 |
| InChIKey | ALBQXDHCMLLQMB-UHFFFAOYSA-N |
| PubChem CID | 74192 |
| EC No. | 216-609-1 |
| DTXSID | DTXSID30167352 |
| Lokaler Name | [1,1'-Biphenyl]-4-sulfonylchlorid |
Chemische & physikalische Eigenschaften
| XLogP | 4 |
|---|---|
| Polarare Oberfläche (TPSA) | 42,5 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 16 |
| Formalladung | 0 |
| Komplexität | 306 |
| Schmelzpunkt | 103-108 °C(lit.) |
| Siedepunkt | 200-205°C 6mm |
| Dichte | 1.320±0.06 g/cm3(Predicted) |
| Flammpunkt | 200-205°C/6mm |
| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2-8°C |
| Löslichkeit | DMSO: 50 mg/mL (197.85 mM)Reacts with water. |
| Aggregatzustand | Crystalline Powder |
| Farbe | White |
| BRN | 2694373 |
| InChI | InChI=1S/C12H9ClO2S/c13-16(14,15)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H |
| InChIKey | ALBQXDHCMLLQMB-UHFFFAOYSA-N |
| SMILES | C1(C2=CC=CC=C2)=CC=C(S(Cl)(=O)=O)C=C1 |
| CAS Datenbank | 1623-93-4(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Skin Corr. 1B (100%) |
| F | 10-21 |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 3261 8/PG 2 |
| Zollcode | 29049090 |
| R-Sätze (R) | 14-34 |
| 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
Reactant for:• ;Preparation of anilinopyrimidinesulfonamides as potential anticancer agents1• ;Synthesis of inhibitors of the hypoxia inducible factor pathway2• ;Preparation of hydroxy-sulfonyl-piperidinyl butyramides as HDAC inhibitors and potential antitumors3• ;Palladium-catalyzed desulfitative C-arylation4