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2,6-Dichlorbenzothiazol
2,6-DICHLOROBENZO[D]THIAZOLE · 2,6-DICHLORO-1,3-BENZOTHIAZOLE · CAS:3622-23-9 · IFLAB-BB F1910-0017 · 2,6-DICHLOROBENZOTHIAZOLE · 2,6-Dichlorobenzothiozole · 2,6-Dichlorobenzothioazole · Benzothiazole, 2,6-dichloro-
Identifikatoren & physikalische Daten
| CAS No. | 3622-23-9 |
|---|---|
| Summenformel | C7H3Cl2NS |
| Durchschnittliche Molmasse | 204,08 g/mol |
| Monoisotopische Masse | 202,93632546 g/mol |
| SMILES | Clc1ccc2nc(Cl)sc2c1 |
| InChIKey | QDZGJGWDGLHVNK-UHFFFAOYSA-N |
| PubChem CID | 77176 |
| EC No. | 222-819-4 |
| DTXSID | DTXSID50189773 |
| Lokaler Name | 2,6-Dichlorbenzothiazol |
Chemische & physikalische Eigenschaften
| XLogP | 4,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 41,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 155 |
| Schmelzpunkt | 96-100 °C (lit.) |
| Siedepunkt | 286.8±13.0 °C(Predicted) |
| Dichte | 1.567±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Aggregatzustand | powder to crystal |
| pKa (Säurekonstante) | -0.87±0.10(Predicted) |
| Farbe | White to Light orange to Yellow |
| BRN | 127749 |
| InChI | 1S/C7H3Cl2NS/c8-4-1-2-5-6(3-4)11-7(9)10-5/h1-3H |
| InChIKey | QDZGJGWDGLHVNK-UHFFFAOYSA-N |
| SMILES | Clc1ccc2nc(Cl)sc2c1 |
| CAS Datenbank | 3622-23-9(CAS DataBase Reference) |
| NIST chemische Informationen | Benzothiazole, 2,6-dichloro-(3622-23-9) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29342000 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
2,6-Dichlorobenzothiazole may be used to synthesize 6-chloro-2-(4-hydroxyphenoxy)benzothiazole.