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2,4-Dichlorbenzolthiol
2,4-DICHLOROTHIOPHEN · 2,4-Dichlorothiophenol · 2,4-Dichloro Thiophenole · 2,4-DICHLOROBENZENETHIOL · 2,4-Dichlorothiophenol 98% · 2,4-Dichlorobenzenethiol>2,4-DICHLOROBENZENE-1-THIOL · 2,4-Dichlorophenylmercaptan · 2,4-dichlorobenzenethiolate
Identifikatoren & physikalische Daten
| CAS No. | 1122-41-4 |
|---|---|
| Summenformel | C6H4Cl2S |
| Durchschnittliche Molmasse | 179,07 g/mol |
| Monoisotopische Masse | 177,94107649 g/mol |
| SMILES | Sc1ccc(Cl)cc1Cl |
| InChIKey | FGBVJFREPSJSNG-UHFFFAOYSA-N |
| PubChem CID | 70730 |
| EC No. | 214-346-7 |
| DTXSID | DTXSID20149945 |
| Lokaler Name | 2,4-Dichlorbenzolthiol |
Chemische & physikalische Eigenschaften
| XLogP | 3,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 1 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 97,1 |
| LogP (Verteilungskoeffizient) | 2.49 |
| Schmelzpunkt | 15°C |
| Siedepunkt | 60-62 °C/1.5 mmHg (lit.) |
| Dichte | 1.418 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.619(lit.) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2-8°C |
| Aggregatzustand | powder to lump to clear liquid |
| pKa (Säurekonstante) | 5.39±0.48(Predicted) |
| Farbe | White or Colorless to Light yellow |
| Wichte | 1.44 |
| BRN | 2042868 |
| InChI | 1S/C6H4Cl2S/c7-4-1-2-6(9)5(8)3-4/h1-3,9H |
| InChIKey | FGBVJFREPSJSNG-UHFFFAOYSA-N |
| SMILES | Sc1ccc(Cl)cc1Cl |
| CAS Datenbank | 1122-41-4(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (13%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 46 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (13%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | 2810 |
| Zollcode | 29309090 |
| R-Sätze (R) | 36/38 |
| Gefahrensymbole | Xi |
| hazard_note | Harmful/Stench |
| Sicherheitshinweise (S) | 26-36 |
| Gefahrenklasse | IRRITANT, STENCHEye Irrit. 2Skin Irrit. 2 |
| Verpackungsgruppe | III |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
2,4-Dichlorobenzenethiol (24DBT) may be used in the following:Preparation of hyperbranched poly(phenylene sulfide) (HPPS).Functionalization of printed gold nanoparticle films.To synthesize N,N-dialkyl(aminopropyl)amino diaryl sulphide.