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3,5-Dimethylbenzenesulfonyl chloride
5-(Chlorosulphonyl)-m-xylene · 3,5-DIMETHYLBENZENESULFONYL CHLORIDE · 3,5-DIMETHYLBENZENESULPHONYL CHLORIDE · Benzenesulfonyl chloride, 3,5-dimethyl- · 3,5-diMethylbenzene-1-sulfonyl chloride · 3,5-Dimethylbenzenesulfonyl chloride,97% · 3,5-DiMethylbenzenesulfonyl chloride 97% · 3,5-DiMethylbenzenesulfonyl chloride, 97% 1GR
Identifikatoren & physikalische Daten
| CAS No. | 2905-27-3 |
|---|---|
| Summenformel | C8H9ClO2S |
| Durchschnittliche Molmasse | 204,67 g/mol |
| Monoisotopische Masse | 204,00117821 g/mol |
| SMILES | Cc1cc(C)cc(S(=O)(=O)Cl)c1 |
| InChIKey | LSAGRAXLOLZVKO-UHFFFAOYSA-N |
| PubChem CID | 2736235 |
| EC No. | 627-462-1 |
| DTXSID | DTXSID20371224 |
Chemische & physikalische Eigenschaften
| XLogP | 2,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 42,5 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 232 |
| Schmelzpunkt | 90-94 °C(lit.) |
| Siedepunkt | 89-90 °C(Press: 0.2 Torr) |
| Dichte | 1.290±0.06 g/cm3 (20 ºC 760 Torr) |
| Lagerbedingungen | Storage temp. 2-8°C |
| Aggregatzustand | Crystalline Powder |
| Farbe | White to yellow |
| BRN | 2640617 |
| InChI | 1S/C8H9ClO2S/c1-6-3-7(2)5-8(4-6)12(9,10)11/h3-5H,1-2H3 |
| InChIKey | LSAGRAXLOLZVKO-UHFFFAOYSA-N |
| SMILES | Cc1cc(C)cc(c1)S(Cl)(=O)=O |
| CAS Datenbank | 2905-27-3(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 47 reports by companies from 3 notifications to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Skin Corr. 1B (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 3261 8/PG 2 |
| Zollcode | 29049090 |
| R-Sätze (R) | 34 |
| Gefahrensymbole | C |
| hazard_note | Corrosive |
| Sicherheitshinweise (S) | 26-36/37/39-45-39-37-36-A26 |
| Gefahrenklasse | 8Skin Corr. 1B |
| Verpackungsgruppe | II |
| Lagerklasse | 8A - Combustible corrosive hazardous materials |
Anwendungen & Verwendung
Verwenden
3,5-Dimethylbenzenesulfonyl chloride (dmbSO2Cl) may be used to synthesize hexa-2,4-diyne-1,6-diyl bis(3,5-dimethylbenzenesulfonate) and C2-symmetric ligands, N(SO2R)(CH2Z)2 [where, Z = CH2NH2; R = dmb].