HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
5-Bromthiophen-2-carbaldehyd
5-BROMO-2-THIOPHENECARBOXALDEHYDE · 5-BROMOTHIOPHENE-2-ALDEHYDE · 5-BROMO-THIOPHENE-2-CARBALDEHYDE · 5-bromo-2-thiophencarboxaldehyde · 5-BROMOTHIOPHENE-2-CARBOXALDEHYDE · EA356 · AKOS BBS-00003268 · TIMTEC-BB SBB000294
Identifikatoren & physikalische Daten
| CAS No. | 4701-17-1 |
|---|---|
| Summenformel | C5H3BrOS |
| Durchschnittliche Molmasse | 191,05 g/mol |
| Monoisotopische Masse | 189,90879782 g/mol |
| SMILES | O=Cc1ccc(Br)s1 |
| InChIKey | GFBVUFQNHLUCPX-UHFFFAOYSA-N |
| PubChem CID | 78428 |
| EC No. | 225-176-8 |
| DTXSID | DTXSID40197004 |
| Lokaler Name | 5-Bromthiophen-2-carbaldehyd |
Chemische & physikalische Eigenschaften
| XLogP | 2,4 |
|---|---|
| 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 | 55°C |
| Siedepunkt | 105-107 °C11 mm Hg(lit.) |
| Dichte | 1.607 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.637(lit.) |
| Flammpunkt | 210 °F |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | Soluble in chloroform and methanol. |
| Aggregatzustand | Liquid After Melting |
| Farbe | Clear yellow to brown |
| BRN | 108404 |
| InChI | 1S/C5H3BrOS/c6-5-2-1-4(3-7)8-5/h1-3H |
| InChIKey | GFBVUFQNHLUCPX-UHFFFAOYSA-N |
| SMILES | [H]C(=O)c1ccc(Br)s1 |
| LogP (Verteilungskoeffizient) | 2.566 (est) |
| CAS Datenbank | 4701-17-1(CAS DataBase Reference) |
| NIST chemische Informationen | 5-Bromo-2-thiophenecarboxaldehyde(4701-17-1) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302+H312+H332 (10%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oralacute toxicity, dermalacute toxicity, inhalation]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 10 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 (20%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | N |
| Zollcode | 29349990 |
| R-Sätze (R) | 36/37/38-20/21/22 |
| Gefahrensymbole | Xn,Xi |
| hazard_note | Irritant/Air Sensitive |
| Sicherheitshinweise (S) | 36/37/39-26-22-36 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
5-Bromo-2-thiophenecarboxaldehyde was used to prepare 5-[18F]fluoro-2-2-thiophene carboxaldehyde. Also is used in biological studies as anti-inflammatory and anti-tumor activity of the marine mangrove Rhizophora apiculata.