HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 588128Erstellt: 27. Oktober 2026
3-Methylthiophene-2-carboxamide
3-Methyl-2-thiophenecarboxamide · 3-Methylthiophene-2-carboxamide · 2-Thiophenecarboxamide, 3-methyl- · 3-Methylthiophene-2-carboxamide ,99% · 2-Thiophenecarboxamide,3-methyl-(9CI) · 3-Methyl-thiophene-2-carboxylicacidaMide
https://huagongshe.com/de/chemical/588128
Identifikatoren & physikalische Daten
| CAS No. | 76655-99-7 |
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| Summenformel | C6H7NOS |
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| Durchschnittliche Molmasse | 141,19 g/mol |
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| Monoisotopische Masse | 141,02483484 g/mol |
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| SMILES | Cc1ccsc1C(N)=O |
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| InChIKey | QZDTWJRYMXQXBX-UHFFFAOYSA-N |
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| PubChem CID | 588128 |
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| EC No. | 677-813-8 |
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| DTXSID | DTXSID90343195 |
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Chemische & physikalische Eigenschaften
| XLogP | 1,2 |
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| Polarare Oberfläche (TPSA) | 71,3 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 2 |
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| Frei drehbare Bindungen | 1 |
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| Schwere Atome | 9 |
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| Formalladung | 0 |
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| Komplexität | 126 |
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| Schmelzpunkt | 122-124°C |
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| Siedepunkt | 269.3±28.0 °C(Predicted) |
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| Dichte | 1.239±0.06 g/cm3(Predicted) |
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| Lagerbedingungen | 2-8°C(protect from light) |
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| pKa (Säurekonstante) | 15.85±0.50(Predicted) |
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| BRN | 116188 |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 4 reports by companies from 1 notifications to the ECHA C&L Inventory. |
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| UN-Transportnummer | 2811 |
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| Zollcode | 29339900 |
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| R-Sätze (R) | 22 |
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| Sicherheitshinweise (S) | 22-36/37-36/37/39-26 |
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| Verpackungsgruppe | III |
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Herstellung & Synthese
synthetische
3-Methyl-2-Thiophenecarboxamide synthesis: 1,2-Dichloroethane (280 mL), DMF (0.05 mL), 3-methyl-2-thiophenecarboxylic acid 5 (21.3 g, 0.149 mol), and SOCl2 (71.4 g, 43.8 mL, 0.6 mol) were heated at reflux temperature for 2 h with stirring. The solvent was then removed under vacuum to give 24 g of 3-methyl-2-thiophenecarbonyl chloride. This product was dissolved in 100 mL of CH2Cl2 and added to a solution of concentrated NH4OH (110 mL) in 300 mL CH2Cl2 with ice/salt bath cooling, at such a rate so as to maintain the reaction temperature below –5°C. The mixture was stirred for 20 min, separated, and the aqueous phase was extracted with another 200 mL of CH2Cl2. The combined organic layers were washed with water, then brine, and the solvent removed to give 21.2 g of 3-methyl-2-thiophenecarboxamide 15 as an off white solid, m.p. 123-124°C; 99.6% pure by GC area %; 1H NMR (CDCl3) 7.3 (d, 1H), 6.9 (1H), 5.8 (s, b), 2.5 ppm (s, 3H).
