HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 818352Erstellt: 27. Oktober 2026
5-(Methoxycarbonyl)thiophene-2-carboxylic acid
2-Methyl 2,5-thiophenedicarboxylate · 2,5-Thiophenedicarboxylicacid,monomethylester · 5-(Methoxycarbonyl)thiophene-2-carboxylic acid · 2,5-Thiophenedicarboxylic acid, 2-methyl ester
https://huagongshe.com/de/chemical/818352
Identifikatoren & physikalische Daten
| CAS No. | 50340-79-9 |
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| Summenformel | C7H6O4S |
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| Durchschnittliche Molmasse | 186,19 g/mol |
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| Monoisotopische Masse | 185,99867967 g/mol |
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| SMILES | COC(=O)c1ccc(C(=O)O)s1 |
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| InChIKey | HYHZGBOWRWIEGW-UHFFFAOYSA-N |
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| PubChem CID | 818352 |
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| EC No. | 675-248-1 |
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| DTXSID | DTXSID20355948 |
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Chemische & physikalische Eigenschaften
| XLogP | 1,6 |
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| Polarare Oberfläche (TPSA) | 91,8 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 5 |
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| Frei drehbare Bindungen | 3 |
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| Schwere Atome | 12 |
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| Formalladung | 0 |
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| Komplexität | 204 |
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| Schmelzpunkt | 187-190℃ |
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| Siedepunkt | 365.2±27.0 °C(Predicted) |
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| Dichte | 1.439±0.06 g/cm3(Predicted) |
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| Lagerbedingungen | 2-8°C(protect from light) |
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| pKa (Säurekonstante) | 3.04±0.10(Predicted) |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (66.7%): 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 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Hazard Classes and Categories | Acute Tox. 4 (66.7%) |
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| Zollcode | 29349990 |
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| R-Sätze (R) | 20/21/22 |
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| Sicherheitshinweise (S) | 3/9-24/25-36/37 |
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| Gefahrenklasse | IRRITANT |
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