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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 84591Generated: October 26, 2026

5-Aminoisoxazole

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/en/chemical/84591

5-Aminoisoxazole molecular structure

Identifiers & Physical Properties

CAS No.14678-05-8
Molecular formulaC3H4N2O
Average molar mass84.08 g/mol
Monoisotopic mass84.03236275 g/mol
SMILESNc1ccno1
InChIKeyIAXWZYXUKABJAN-UHFFFAOYSA-N
PubChem CID84591
EC No.238-720-4
DTXSIDDTXSID2074532

Chemical & Physical Properties

XLogP0
Topological polar surface area52.1
Hydrogen bond donors1
Hydrogen bond acceptors3
Rotatable bonds0
Heavy atoms6
Formal charge0
Complexity48.1
Melting point75-77 °C
Boiling point234.7±13.0 °C(Predicted)
Density1.241±0.06 g/cm3(Predicted)
Storage conditions2-8°C(protect from light)
Physical statesolid
pKa (acidity coefficient)-1.23±0.50(Predicted)
ColorWhite to cream
InChIInChI=1S/C3H4N2O/c4-3-1-2-5-6-3/h1-2H,4H2
InChIKeyIAXWZYXUKABJAN-UHFFFAOYSA-N
SMILESO1C(N)=CC=N1
EPA Substance Registry System5-Isoxazolamine (14678-05-8)
GHS pictogramGHS07
Signal wordWarning
GHS hazard statementsH302+H312+H332-H315-H319-H335
GHS precautionary statementsP280
Hazard classIRRITANT
Customs code2934999090

Safety & Regulations

GHS classificationWarningH302+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%)
Customs code2934999090
Signal wordWarning
GHS pictogramGHS07
Hazard classIRRITANT
GHS hazard statementsH302+H312+H332-H315-H319-H335
GHS precautionary statementsP280