3-(Isoxazol-5-yl)aniline

Base Information

• Chemical Name: 3-(Isoxazol-5-yl)aniline
• CAS No.: 832740-15-5
• Molecular Formula: C₉H₈N₂O
• Molecular Weight: 160.175
• Hs Code.: 2934999090
• European Community (EC) Number: 846-951-2
• DSSTox Substance ID: DTXSID90586328
• Wikidata: Q82478435
• Mol file: 832740-15-5.mol

Synonyms:3-(Isoxazol-5-yl)aniline;832740-15-5;3-(1,2-oxazol-5-yl)aniline;3-ISOXAZOL-5-YLANILINE;Benzenamine, 3-(5-isoxazolyl)- (9CI);SCHEMBL1019779;3-(5-ISOXAZOLYL)ANILINE;DTXSID90586328;JBFVFIPIWPLRNB-UHFFFAOYSA-N;MFCD05667181;STK312960;AKOS000311450;Benzenamine,3-(5-isoxazolyl)-(9ci);MCULE-4941173708;AS-58141;DA-19120;CS-0156894;D70712;EN300-230000;Z339274974

Chemical Property of 3-(Isoxazol-5-yl)aniline

Chemical Property:

• Boiling Point: 379.3±25.0 °C(Predicted)
• PKA: 3.81±0.10(Predicted)
• PSA: 52.05000
• Density: 1.204±0.06 g/cm3(Predicted)
• LogP: 2.50500
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 160.063662883
• Heavy Atom Count: 12
• Complexity: 152

Purity/Quality:

98%min ^*data from raw suppliers

3-isoxazol-5-ylaniline ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)N)C2=CC=NO2