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HCID 75636Erstellt: 27. Oktober 2026
3,5-Dimethylisoxazol-4-carbonsure
AKOS PAO-1555 · BUTTPARK 27\08-43 · RARECHEM AL BO 0995 · TIMTEC-BB SBB004158 · 3,5-dimethyl-4-isoxazolecarboxylate · diMethyl-1,2-oxazole-4-carboxylic acid · 3,5-DIMETHYLISOXASOLE-4-CARBOXYLIC ACID · 3,5-DIMETHYL-4-ISOXAZOLECARBOXYLIC ACID
https://huagongshe.com/de/chemical/75636
Identifikatoren & physikalische Daten
| CAS No. | 2510-36-3 |
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| Summenformel | C6H7NO3 |
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| Durchschnittliche Molmasse | 141,12 g/mol |
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| Monoisotopische Masse | 141,04259308 g/mol |
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| SMILES | Cc1noc(C)c1C(=O)O |
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| InChIKey | IJEUISLJVBUNRE-UHFFFAOYSA-N |
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| PubChem CID | 75636 |
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| EC No. | 219-724-5 |
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| DTXSID | DTXSID00179785 |
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| Lokaler Name | 3,5-Dimethylisoxazol-4-carbonsure |
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Chemische & physikalische Eigenschaften
| XLogP | 0,7 |
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| Polarare Oberfläche (TPSA) | 63,3 |
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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 | 10 |
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| Formalladung | 0 |
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| Komplexität | 148 |
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| Schmelzpunkt | 141-145 °C(lit.) |
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| Siedepunkt | 258.14°C (rough estimate) |
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| Dichte | 1.3710 (rough estimate) |
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| Brechungsindex | 1.4890 (estimate) |
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| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
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| Löslichkeit | soluble in Methanol |
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| Aggregatzustand | powder to crystal |
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| pKa (Säurekonstante) | 2.53±0.32(Predicted) |
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| Farbe | White to Almost white |
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| BRN | 115819 |
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| InChI | 1S/C6H7NO3/c1-3-5(6(8)9)4(2)10-7-3/h1-2H3,(H,8,9) |
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| InChIKey | IJEUISLJVBUNRE-UHFFFAOYSA-N |
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| SMILES | Cc1noc(C)c1C(O)=O |
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| CAS Datenbank | 2510-36-3(CAS DataBase Reference) |
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| NIST chemische Informationen | 3,5-Dimethylisoxazole-4-carboxylic acid(2510-36-3) |
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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 4 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) | 3 |
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| Zollcode | 29349990 |
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| R-Sätze (R) | 20/21/22 |
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| Gefahrensymbole | Xi,Xn |
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| Sicherheitshinweise (S) | 24/25-36-22 |
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| Gefahrenklasse | IRRITANT |
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| Lagerklasse | 13 - Non Combustible Solids |
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