HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 688704Erstellt: 27. Oktober 2026
6-Methylchromone-2-carboxylic Acid
AKOS GLO-BB-137 · 6-Methylchromone-2-carboxylic acid · 6-Methylchromone-2-carboxylic acid, 98+% · 6-Methyl-4H-chromen-2-one-3-carboxylic acid · 6-METHYL-4-OXO-4H-CHROMENE-2-CARBOXYLIC ACID · 6-Methyl-4-oxo-4H-1-benzopyran-2-carboxylic acid · 4H-1-Benzopyran-2-carboxylic acid, 6-methyl-4-oxo- · 6-methyl-4-oxo-1-benzopyran-2-carboxylic acid methyl ester
https://huagongshe.com/de/chemical/688704
Identifikatoren & physikalische Daten
| CAS No. | 5006-44-0 |
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| Summenformel | C11H8O4 |
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| Durchschnittliche Molmasse | 204,18 g/mol |
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| SMILES | Cc1ccc2oc(C(=O)O)cc(=O)c2c1 |
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| InChIKey | RKIDLZFIIVDZNX-UHFFFAOYSA-N |
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| PubChem CID | 688704 |
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| EC No. | 622-748-2 |
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Chemische & physikalische Eigenschaften
| XLogP | 2 |
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| Polarare Oberfläche (TPSA) | 63,6 |
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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 | 15 |
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| Formalladung | 0 |
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| Komplexität | 331 |
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| Schmelzpunkt | 267-270 °C (lit.) |
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| Siedepunkt | 367.2±42.0 °C(Predicted) |
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| Dichte | 1.421±0.06 g/cm3(Predicted) |
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| pKa (Säurekonstante) | 2.40±0.20(Predicted) |
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| Aggregatzustand | powder to crystal |
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| Farbe | White to Light yellow to Light orange |
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| InChI | InChI=1S/C11H8O4/c1-6-2-3-9-7(4-6)8(12)5-10(15-9)11(13)14/h2-5H,1H3,(H,13,14) |
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| InChIKey | RKIDLZFIIVDZNX-UHFFFAOYSA-N |
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| SMILES | C1(C(O)=O)OC2=CC=C(C)C=C2C(=O)C=1 |
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| CAS Datenbank | 5006-44-0(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 41 reports by companies from 4 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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| R-Sätze (R) | 36/37/38 |
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| Gefahrensymbole | Xi |
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| Sicherheitshinweise (S) | 26-36 |
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| Lagerklasse | 11 - Combustible Solids |
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| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
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