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HCID 676583Erstellt: 27. Oktober 2026
2,3-Dihydrobenzo(b)furan-5-carboxylic acid
AKOS MSC-0157 · BUTTPARK 27\04-59 · RARECHEM AL BO 2045 · TIMTEC-BB SBB005420 · 2,3-Dihydrobenzo[b]f · 3-dihydrobenzofuran-5-carboxylic acid · 2,3-DIHYDROBENZOFURAN-5-CARBOXYLIC ACID · 5-Benzofurancarboxylicacid, 2,3-dihydro-
https://huagongshe.com/de/chemical/676583
Identifikatoren & physikalische Daten
| CAS No. | 76429-73-7 |
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| Summenformel | C9H8O3 |
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| Durchschnittliche Molmasse | 164,16 g/mol |
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| Monoisotopische Masse | 164,04734412 g/mol |
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| SMILES | O=C(O)c1ccc2c(c1)CCO2 |
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| InChIKey | YXYOLVAXVPOIMA-UHFFFAOYSA-N |
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| PubChem CID | 676583 |
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| EC No. | 672-984-5 |
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| DTXSID | DTXSID10350321 |
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Chemische & physikalische Eigenschaften
| XLogP | 1,5 |
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| Polarare Oberfläche (TPSA) | 46,5 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 3 |
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| Frei drehbare Bindungen | 1 |
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| Schwere Atome | 12 |
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| Formalladung | 0 |
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| Komplexität | 190 |
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| Schmelzpunkt | 185 °C |
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| Siedepunkt | 336.6±31.0 °C(Predicted) |
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| Dichte | 1.344±0.06 g/cm3(Predicted) |
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| Lagerbedingungen | 2-8°C |
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| Aggregatzustand | solid |
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| pKa (Säurekonstante) | 4.54±0.20(Predicted) |
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| Farbe | beige |
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| InChI | 1S/C9H8O3/c10-9(11)7-1-2-8-6(5-7)3-4-12-8/h1-2,5H,3-4H2,(H,10,11) |
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| InChIKey | YXYOLVAXVPOIMA-UHFFFAOYSA-N |
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| SMILES | OC(=O)c1ccc2OCCc2c1 |
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| CAS Datenbank | 76429-73-7(CAS DataBase Reference) |
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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 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 | Skin Irrit. 2 (100%) |
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| Wassergefährdungsklasse (WGK) | WGK 3 |
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| Zollcode | 29321900 |
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| R-Sätze (R) | 36/37/38-51-22 |
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| Gefahrensymbole | Xi,Xn |
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| hazard_note | Irritant |
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| Sicherheitshinweise (S) | 26-36/37/39-22 |
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| Lagerklasse | 11 - Combustible Solids |
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| Gefahrenklasse | Acute Tox. 4 OralAquatic Chronic 2 |
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