HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 700562Erstellt: 26. Oktober 2026
Methyl 3-amino-5-phenylthiophene-2-carboxylate
AKOS 91618 · BUTTPARK 33\08-14 · TIMTEC-BB SBB005525 · Methyl 3-amino-5-phenylthiophene-2-carboxyl · 3-AMINO-5-PHENYLTHIOPHENE-2-CARBOXYLIC ACID · 3-Amino-2-(methoxycarbonyl)-5-phenylthiophene · Methyl 3-aMino-5-phenylthiophen-2-carboxylate · METHYL 3-AMINO-5-PHENYLTHIOPHENE-2-CARBOXYLATE
https://huagongshe.com/de/chemical/700562
Identifikatoren & physikalische Daten
| CAS No. | 100063-22-7 |
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| Summenformel | C12H11NO2S |
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| Durchschnittliche Molmasse | 233,29 g/mol |
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| Monoisotopische Masse | 233,05104959 g/mol |
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| SMILES | COC(=O)c1sc(-c2ccccc2)cc1N |
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| InChIKey | QESSCNMSOLRYBO-UHFFFAOYSA-N |
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| PubChem CID | 700562 |
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| ChEMBL | CHEMBL207663 |
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| EC No. | 640-912-1 |
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| DTXSID | DTXSID70351450 |
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Chemische & physikalische Eigenschaften
| XLogP | 3,3 |
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| Polarare Oberfläche (TPSA) | 80,6 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 4 |
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| Frei drehbare Bindungen | 3 |
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| Schwere Atome | 16 |
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| Formalladung | 0 |
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| Komplexität | 253 |
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| Schmelzpunkt | 147 °C |
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| Siedepunkt | 442.5±45.0 °C(Predicted) |
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| Dichte | 1.265±0.06 g/cm3(Predicted) |
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| Lagerbedingungen | 2-8°C(protect from light) |
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| Aggregatzustand | crystalline powder |
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| pKa (Säurekonstante) | 1.70±0.10(Predicted) |
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| Farbe | Yellow |
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| CAS Datenbank | 100063-22-7(CAS DataBase Reference) |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (28.6%): Harmful if swallowed [Warning Acute toxicity, oral]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 7 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 (28.6%) |
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| Zollcode | 2934999090 |
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| R-Sätze (R) | 36/37/38-22 |
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| Gefahrensymbole | Xi,Xn |
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| hazard_note | Irritant |
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| Sicherheitshinweise (S) | 24/25 |
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