HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 901439Erstellt: 3. November 2026
5-Fluoro-1-benzothiophene-2-carboxylic acid
2-Carboxy-5-fluoro-1-benzothiophene · 5-fluoro-1-benzothiophene-2-carboxylate · 5-FLUOROBENZOTHIOPHENE-2-CARBOXYLIC ACID · 5-FLUORO-BENZO[B]THIOPHENE-3-CARBOXYLIC ACID · Benzo[b]thiophene-2-carboxylic acid, 5-fluoro- · 2-Carboxy-5-fluoro-1-benzothiophene, 5-Fluoro-1-benzothiophene-2-carboxylic acid
https://huagongshe.com/de/chemical/901439
Identifikatoren & physikalische Daten
| CAS No. | 70060-13-8 |
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| Summenformel | C9H5FO2S |
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| Durchschnittliche Molmasse | 196,2 g/mol |
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| Monoisotopische Masse | 195,99942873 g/mol |
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| SMILES | O=C(O)c1cc2cc(F)ccc2s1 |
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| InChIKey | PLVPMOSTGNZKQQ-UHFFFAOYSA-N |
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| PubChem CID | 901439 |
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| EC No. | 691-877-4 |
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| DTXSID | DTXSID90358522 |
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Chemische & physikalische Eigenschaften
| XLogP | 2,9 |
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| Polarare Oberfläche (TPSA) | 65,5 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 4 |
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| Frei drehbare Bindungen | 1 |
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| Schwere Atome | 13 |
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| Formalladung | 0 |
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| Komplexität | 222 |
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| Schmelzpunkt | 240-243 |
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| Siedepunkt | 379.4±22.0 °C(Predicted) |
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| Dichte | 1.511±0.06 g/cm3(Predicted) |
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| Lagerbedingungen | 2-8°C(protect from light) |
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| Aggregatzustand | Solid |
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| pKa (Säurekonstante) | 3.31±0.30(Predicted) |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): 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 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
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| Zollcode | 2934999090 |
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| Gefahrensymbole | Xi |
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| Gefahrenklasse | IRRITANT |
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