HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 84590Erstellt: 27. Oktober 2026
3-Methylisoxazol-5-amin
3-METHYLISOXAZOL-5-AMINE · 3-METHYL-ISOXAZOL-5-YLAMINE · NSC 93421 · AKOS PAO-1620 · BUTTPARK 94\04-02 · TIMTEC-BB SBB006539 · 3-methyl-5-isoxazolamin · 3-Methyl-5-isoxazolamine
https://huagongshe.com/de/chemical/84590
Identifikatoren & physikalische Daten
| CAS No. | 14678-02-5 |
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| Summenformel | C4H6N2O |
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| Durchschnittliche Molmasse | 98,1 g/mol |
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| Monoisotopische Masse | 98,04801281 g/mol |
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| SMILES | Cc1cc(N)on1 |
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| InChIKey | FNXYWHTZDAVRTB-UHFFFAOYSA-N |
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| PubChem CID | 84590 |
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| EC No. | 238-719-9 |
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| DTXSID | DTXSID70163474 |
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| Lokaler Name | 3-Methylisoxazol-5-amin |
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Chemische & physikalische Eigenschaften
| XLogP | 0,4 |
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| Polarare Oberfläche (TPSA) | 52,1 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 3 |
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| Frei drehbare Bindungen | 0 |
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| Schwere Atome | 7 |
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| Formalladung | 0 |
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| Komplexität | 66,7 |
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| Schmelzpunkt | 85-87 °C(lit.) |
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| Siedepunkt | 231.3±20.0℃ (760 Torr) |
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| Dichte | 1.167±0.06 g/cm3 (20 ºC 760 Torr) |
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| Brechungsindex | 1.4327 (estimate) |
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| Flammpunkt | 93.7±21.8℃ |
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| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
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| Löslichkeit | Chloroform, Methanol (Slightly) |
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| pKa (Säurekonstante) | -0.59±0.50(Predicted) |
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| Aggregatzustand | Crystalline Powder and Chunks |
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| Farbe | Yellow to orange-brown |
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| BRN | 107906 |
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| InChI | 1S/C4H6N2O/c1-3-2-4(5)7-6-3/h2H,5H2,1H3 |
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| InChIKey | FNXYWHTZDAVRTB-UHFFFAOYSA-N |
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| SMILES | Cc1cc(N)on1 |
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| CAS Datenbank | 14678-02-5(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 47 reports by companies from 7 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) | 36/37/38 |
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| Gefahrensymbole | Xi |
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| Sicherheitshinweise (S) | 26-37/39-36 |
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| Gefahrenklasse | KEEP COLDEye Irrit. 2Skin Irrit. 2STOT SE 3 |
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| Lagerklasse | 11 - Combustible Solids |
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