3-(5-Aminoisoxazol-3-yl)phenol

Base Information

• Chemical Name: 3-(5-Aminoisoxazol-3-yl)phenol
• CAS No.: 887591-58-4
• Molecular Formula: C9H8 N2 O2
• Molecular Weight: 176.17
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID40698844
• Wikidata: Q82629358
• Mol file: 887591-58-4.mol

Synonyms:3-(5-Aminoisoxazol-3-yl)phenol;887591-58-4;3-(5-amino-1,2-oxazol-3-yl)phenol;DTXSID40698844;AKOS006287368;BS-52054;CS-0269196;E82609;EN300-1854469

Chemical Property of 3-(5-Aminoisoxazol-3-yl)phenol

Chemical Property:

• Boiling Point: 478.1±40.0 °C(Predicted)
• PKA: 9.12±0.10(Predicted)
• PSA: 72.28000
• Density: 1.340±0.06 g/cm3(Predicted)
• LogP: 2.21060
• Storage Temp.: 2-8°C
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 176.058577502
• Heavy Atom Count: 13
• Complexity: 177

Purity/Quality:

95+% ^*data from raw suppliers

3-(5-Amino-isoxazol-3-yl)-phenol 95 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)O)C2=NOC(=C2)N