3-(Benzo[d][1,3]dioxol-5-yl)isoxazole-4-carbonitrile

Base Information

• Chemical Name: 3-(Benzo[d][1,3]dioxol-5-yl)isoxazole-4-carbonitrile
• CAS No.: 5542-43-8
• Molecular Formula: C11H6N2O3
• Molecular Weight: 214.1769
• DSSTox Substance ID: DTXSID50970769
• Wikidata: Q82954023
• Mol file: 5542-43-8.mol

Synonyms:3-(Benzo[d][1,3]dioxol-5-yl)isoxazole-4-carbonitrile;5542-43-8;CBMicro_023182;Cambridge id 5542438;3-(2H-1,3-benzodioxol-5-yl)-1,2-oxazole-4-carbonitrile;DTXSID50970769;CCG-10722;BIM-0023337.P001

Chemical Property of 3-(Benzo[d][1,3]dioxol-5-yl)isoxazole-4-carbonitrile

Chemical Property:

• Vapor Pressure: 3.57E-08mmHg at 25°C
• Boiling Point: 446.7°Cat760mmHg
• Flash Point: 224°C
• Density: 1.48g/cm³
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 214.03784206
• Heavy Atom Count: 16
• Complexity: 314

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1OC2=C(O1)C=C(C=C2)C3=NOC=C3C#N