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Thiophen-3-carbaldehyd
THIOPHENE-3-CARBALDEHYDE · THIOPHENE-3-CARBOXALDEHYDE · TH-CHO · 3-Thenaldehyde · 3-Formylthiophene · 3-THIOPHENALDEHYDE · Thiophene-3-carbaL · RARECHEM AM LA 0011
Identifikatoren & physikalische Daten
| CAS No. | 498-62-4 |
|---|---|
| Summenformel | C5H4OS |
| Durchschnittliche Molmasse | 112,15 g/mol |
| Monoisotopische Masse | 111,99828575 g/mol |
| SMILES | O=Cc1ccsc1 |
| InChIKey | RBIGKSZIQCTIJF-UHFFFAOYSA-N |
| PubChem CID | 68135 |
| ChEMBL | CHEMBL72211 |
| ChEBI | CHEBI:87611 |
| EC No. | 207-865-5 |
| DTXSID | DTXSID2060098 |
| Lokaler Name | Thiophen-3-carbaldehyd |
Chemische & physikalische Eigenschaften
| XLogP | 1 |
|---|---|
| Polarare Oberfläche (TPSA) | 45,3 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 7 |
| Formalladung | 0 |
| Komplexität | 72,5 |
| SpringerMaterials Properties | Chemical shift |
| Schmelzpunkt | -30 °C |
| Siedepunkt | 194-196 °C (lit.) 86-87 °C/20 mmHg (lit.) |
| Dichte | 1.28 g/mL at 25 °C (lit.) |
| Dampfdruck | 0.31 mm Hg ( 20 °C) |
| Brechungsindex | n20/D 1.583(lit.) |
| Flammpunkt | 165 °F |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | Chloroform, HexanesNot miscible in water. |
| Aggregatzustand | Liquid |
| Wichte | 1.228 |
| Farbe | Clear yellow to light brown |
| BRN | 105889 |
| InChI | 1S/C5H4OS/c6-3-5-1-2-7-4-5/h1-4H |
| InChIKey | RBIGKSZIQCTIJF-UHFFFAOYSA-N |
| SMILES | [H]C(=O)c1ccsc1 |
| LogP (Verteilungskoeffizient) | 1.010 |
| CAS Datenbank | 498-62-4(CAS DataBase Reference) |
| NIST chemische Informationen | 3-Thiophenecarboxaldehyde(498-62-4) |
| EPA chemische Informationen | 3-Thiophenecarboxaldehyde (498-62-4) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (89.4%): 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 47 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | 3-Thiophenecarboxaldehyde: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Acute Tox. 4 (89.4%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29339900 |
| R-Sätze (R) | 22-43-36/37/38 |
| Gefahrensymbole | Xn,Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 37-24-36-26-36/37/39-20/21 |
| Gefahrenklasse | AIR SENSITIVEAcute Tox. 4 Oral |
| Lagerklasse | 10 - Combustible liquids |
| Selbstentzündungstemperatur | >392 °F |
Anwendungen & Verwendung
Verwenden
3-Thiophenecarboxaldehyde is used in biological studies to determine the volatile compounds formed from the interaction between organoselenium and sulfur compounds.