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HCID 82264Erstellt: 27. Oktober 2026
Benzo-1,3-dioxol-4-carboxaldehyd
BENZO[1,3]DIOXOLE-4-CARBALDEHYDE · BUTTPARK 27\02-58 · TIMTEC-BB SBB004074 · 4-FORMYL-1,3-BENZODIOXOLE · Benzodioxole-4-carboxaldehyde · 1, 3-benzdioxo-4-formaldehyde · 1,3-BENZODIOXOLE-4-CARBALDEHYDE · 1,3-Benzenedioxy-4-carbaldehyde
https://huagongshe.com/de/chemical/82264
Identifikatoren & physikalische Daten
| CAS No. | 7797-83-3 |
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| Summenformel | C8H6O3 |
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| Durchschnittliche Molmasse | 150,13 g/mol |
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| Monoisotopische Masse | 150,03169405 g/mol |
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| SMILES | O=Cc1cccc2c1OCO2 |
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| InChIKey | QZMQKPGVXNSITP-UHFFFAOYSA-N |
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| PubChem CID | 82264 |
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| ChEMBL | CHEMBL4435114 |
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| EC No. | 232-252-4 |
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| DTXSID | DTXSID90228635 |
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| Lokaler Name | Benzo-1,3-dioxol-4-carboxaldehyd |
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Chemische & physikalische Eigenschaften
| XLogP | 1,2 |
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| Polarare Oberfläche (TPSA) | 35,5 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 3 |
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| Frei drehbare Bindungen | 1 |
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| Schwere Atome | 11 |
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| Formalladung | 0 |
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| Komplexität | 157 |
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| Schmelzpunkt | 34-36 °C(lit.) |
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| Siedepunkt | 80 °C0.3 mm Hg(lit.) |
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| Dichte | 1.312 g/mL at 25 °C(lit.) |
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| Brechungsindex | 1.4500 (estimate) |
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| Flammpunkt | >230 °F |
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| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
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| Löslichkeit | Chloroform (Sparingly), Methanol (Slightly) |
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| Aggregatzustand | Solid |
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| Farbe | White to Pale Yellow |
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| BRN | 125644 |
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| InChI | InChI=1S/C8H6O3/c9-4-6-2-1-3-7-8(6)11-5-10-7/h1-4H,5H2 |
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| InChIKey | QZMQKPGVXNSITP-UHFFFAOYSA-N |
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| SMILES | O1C2=CC=CC(C=O)=C2OC1 |
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| CAS Datenbank | 7797-83-3(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 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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| Wassergefährdungsklasse (WGK) | 3 |
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| Zollcode | 29329990 |
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| RTECS-Nr. | DF4912450 |
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| Toxizität | TDLo orl-rat: 12.8 mg/kg BIPBU* 24,1277,2001 |
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| Sicherheitshinweise (S) | 22-24/25 |
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| Lagerklasse | 11 - Combustible Solids |
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