HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Thiophene-2-carbohydrazide
THIOPHENE-2-CARBOHYDRAZIDE · THENOIC HYDRAZIDE · AKOS BBS-00004097 · 2-Thenoylhydrazine · 2-Thenoic hydrazide · LABOTEST-BB LT00772322 · 2-THIOPHENECARBOHYDRAZIDE · hiophene-2-carbohydrazide
Identifikatoren & physikalische Daten
| CAS No. | 2361-27-5 |
|---|---|
| Summenformel | C5H6N2OS |
| Durchschnittliche Molmasse | 142,18 g/mol |
| Monoisotopische Masse | 142,02008381 g/mol |
| SMILES | NNC(=O)c1cccs1 |
| InChIKey | SOGBOGBTIKMGFS-UHFFFAOYSA-N |
| PubChem CID | 73098 |
| ChEMBL | CHEMBL3091844 |
| EC No. | 219-107-0 |
| DTXSID | DTXSID80178271 |
Chemische & physikalische Eigenschaften
| XLogP | 0,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 83,4 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 118 |
| Schmelzpunkt | 136-139 °C(lit.) |
| Dichte | 1.291 (estimate) |
| Brechungsindex | 1.6430 (estimate) |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,2-8°C |
| Aggregatzustand | Crystalline Powder |
| pKa (Säurekonstante) | 12.43±0.10(Predicted) |
| Farbe | Slightly yellow to beige |
| BRN | 114437 |
| InChI | 1S/C5H6N2OS/c6-7-5(8)4-2-1-3-9-4/h1-3H,6H2,(H,7,8) |
| InChIKey | SOGBOGBTIKMGFS-UHFFFAOYSA-N |
| SMILES | NNC(=O)c1cccs1 |
| CAS Datenbank | 2361-27-5(CAS DataBase Reference) |
| NIST chemische Informationen | 2-Thiophenecarboxylic acid, hydrazide(2361-27-5) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (98%): 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 49 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (98%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29349990 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-36-24/25 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
2-Thiophenecarboxylic acid hydrazide features a planar molecular structure with cis-oriented torsion angles of less than 10° and serves as a ligand for transition metal complexes involving manganese, cobalt, nickel, copper, zinc, cadmium, palladium, and ruthenium[1]. The compound reacts with isatin in ethanol under reflux to synthesize 2-thiophenecarbonylhydrazone-3-isatin[2].