HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 304832Erstellt: 27. Oktober 2026
1,3-Dioxaindane-4-carboxylic acid
benzo[d][1,3]dioxole-4-carboxylic acid · BUTTPARK 27\02-57 · o-Piperonylic acid · RARECHEM AL BE 0228 · 2,3-Methylene dioxy benzoic acid · 1,3-BENZODIOXOLE-4-CARBOXYLIC ACID · Benzo[1,3]dioxole-4-carboxylic acid · 2,3-methylenedioxyphenylcarboxylic acid
https://huagongshe.com/de/chemical/304832
Identifikatoren & physikalische Daten
| CAS No. | 5768-39-8 |
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| Summenformel | C8H6O4 |
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| Durchschnittliche Molmasse | 166,13 g/mol |
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| Monoisotopische Masse | 166,02660867 g/mol |
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| SMILES | O=C(O)c1cccc2c1OCO2 |
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| InChIKey | DBUAYOWCIUQXQW-UHFFFAOYSA-N |
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| PubChem CID | 304832 |
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| EC No. | 963-706-6 |
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| DTXSID | DTXSID40308032 |
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Chemische & physikalische Eigenschaften
| XLogP | 1,3 |
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| Polarare Oberfläche (TPSA) | 55,8 |
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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 | 12 |
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| Formalladung | 0 |
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| Komplexität | 191 |
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| Schmelzpunkt | 224 °C |
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| Siedepunkt | 318.3±31.0 °C(Predicted) |
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| Dichte | 1.468±0.06 g/cm3(Predicted) |
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| Lagerbedingungen | Sealed in dry,Room Temperature |
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| Aggregatzustand | solid |
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| pKa (Säurekonstante) | 3.97±0.20(Predicted) |
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| InChI | InChI=1S/C8H6O4/c9-8(10)5-2-1-3-6-7(5)12-4-11-6/h1-3H,4H2,(H,9,10) |
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| InChIKey | DBUAYOWCIUQXQW-UHFFFAOYSA-N |
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| SMILES | O1C2=CC=CC(C(O)=O)=C2OC1 |
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| CAS Datenbank | 5768-39-8 |
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Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2 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 | Acute Tox. 4 (100%) |
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| Wassergefährdungsklasse (WGK) | WGK 3 |
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| Zollcode | 2932990090 |
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| R-Sätze (R) | 22 |
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| Gefahrensymbole | Xn |
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| hazard_note | Harmful |
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| Lagerklasse | 11 - Combustible Solids |
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| Gefahrenklasse | Acute Tox. 4 Oral |
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