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HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 84591Erstellt: 26. Oktober 2026

Isoxazol-5-amin

5-AminoisoxazoL · Einecs 238-720-4 · isoxazol-5-amine · 1,2-Oxazol-5-amine · Isoxazol-5-ylamine · 5-Isoxazolamine(9CI) · 5-Amino-1,2-oxazole, Isoxazol-5-amine

https://huagongshe.com/de/chemical/84591

Molekülstruktur von Isoxazol-5-amin

Identifikatoren & physikalische Daten

CAS No.14678-05-8
SummenformelC3H4N2O
Durchschnittliche Molmasse84,08 g/mol
Monoisotopische Masse84,03236275 g/mol
SMILESNc1ccno1
InChIKeyIAXWZYXUKABJAN-UHFFFAOYSA-N
PubChem CID84591
EC No.238-720-4
DTXSIDDTXSID2074532
Lokaler NameIsoxazol-5-amin

Chemische & physikalische Eigenschaften

XLogP0
Polarare Oberfläche (TPSA)52,1
H-Brücken-Donoren1
H-Brücken-Akzeptoren3
Frei drehbare Bindungen0
Schwere Atome6
Formalladung0
Komplexität48,1
Schmelzpunkt75-77 °C
Siedepunkt234.7±13.0 °C(Predicted)
Dichte1.241±0.06 g/cm3(Predicted)
Lagerbedingungen2-8°C(protect from light)
Aggregatzustandsolid
pKa (Säurekonstante)-1.23±0.50(Predicted)
FarbeWhite to cream
InChIInChI=1S/C3H4N2O/c4-3-1-2-5-6-3/h1-2H,4H2
InChIKeyIAXWZYXUKABJAN-UHFFFAOYSA-N
SMILESO1C(N)=CC=N1
EPA chemische Informationen5-Isoxazolamine (14678-05-8)

Sicherheit & Vorschriften

GHS-EinstufungWarningH302+H312+H332 (33.3%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oralacute toxicity, dermalacute toxicity, inhalation]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, 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 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and CategoriesAcute Tox. 4 (66.7%)
Zollcode2934999090
GefahrenklasseIRRITANT