HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4-Bromthiophen-2-carbaldehyd
4-BROMOTHIOPHENE-2-CARBALDEHYDE · 4-BROMO-2-THIOPHENECARBALDEHYDE · 4-BROMO-2-THIOPHENECARBOXALDEHYDE · TIMTEC-BB SBB000293 · 4-Bromo-2-thiophene · LABOTEST-BB LT00112358 · 4-BROMO-2-FORMYLTHIOPHENE · 3-Bromo-5-formylthiophene
Identifikatoren & physikalische Daten
| CAS No. | 18791-75-8 |
|---|---|
| Summenformel | C5H3BrOS |
| Durchschnittliche Molmasse | 191,05 g/mol |
| Monoisotopische Masse | 189,90879782 g/mol |
| SMILES | O=Cc1cc(Br)cs1 |
| InChIKey | PDONIKHDXYHTLS-UHFFFAOYSA-N |
| PubChem CID | 87792 |
| EC No. | 242-577-3 |
| DTXSID | DTXSID60172116 |
| Lokaler Name | 4-Bromthiophen-2-carbaldehyd |
Chemische & physikalische Eigenschaften
| XLogP | 2,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 45,3 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 8 |
| Formalladung | 0 |
| Komplexität | 96,4 |
| Schmelzpunkt | 44-46 °C (lit.) |
| Siedepunkt | 114-115 °C/11 mmHg (lit.) |
| Dichte | 1.770 (estimate) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | soluble in Methanol |
| Aggregatzustand | Powder or Granules |
| Farbe | White to beige |
| BRN | 108455 |
| InChI | InChI=1S/C5H3BrOS/c6-4-1-5(2-7)8-3-4/h1-3H |
| InChIKey | PDONIKHDXYHTLS-UHFFFAOYSA-N |
| SMILES | C1(C=O)SC=C(Br)C=1 |
| CAS Datenbank | 18791-75-8(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (28.6%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 7 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (28.6%) |
| F | 10-23 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | N |
| Zollcode | 29349990 |
| R-Sätze (R) | 36/37/38-20/21/22 |
| Gefahrensymbole | Xn,Xi |
| Sicherheitshinweise (S) | 22-24/25-36/37/39-26-36 |
| Gefahrenklasse | IRRITANT |
Anwendungen & Verwendung
Verwenden
4-Bromothiophene-2-carboxaldehyde has been used: as building block for the synthesis of tetrahydroisoquinolinones in the synthesis of 3-[(4-bromo-2-thienyl)methylenehydrazinocarbonyl]-1H-1,2,4-triazole