5-Bromoisoxazole

Base Information

• Chemical Name: 5-Bromoisoxazole
• CAS No.: 1133930-99-0
• Molecular Formula: C3H2BrNO
• Molecular Weight: 147.95808
• DSSTox Substance ID: DTXSID80602788
• Wikidata: Q82499968
• Mol file: 1133930-99-0.mol

Synonyms:5-BROMOISOXAZOLE;1133930-99-0;5-bromo-1,2-oxazole;Isoxazole, 5-bromo-;MFCD16251124;SCHEMBL3383430;DTXSID80602788;AMY42513;AKOS017516922;AS-75869;SY030626;DB-060511;A51037;A803045

Chemical Property of 5-Bromoisoxazole

Chemical Property:

• Boiling Point: 182.7±13.0 °C(Predicted)
• PKA: -3.98±0.50(Predicted)
• PSA: 26.03000
• Density: 1.812±0.06 g/cm3(Predicted)
• LogP: 1.43710
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 146.93198
• Heavy Atom Count: 6
• Complexity: 50.1

Purity/Quality:

97% ^*data from raw suppliers

5-Bromoisoxazole 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(ON=C1)Br