1,2-Benzisoxazole-3-acetonitrile, 5-chloro-

Base Information

• Chemical Name: 1,2-Benzisoxazole-3-acetonitrile, 5-chloro-
• CAS No.: 57268-49-2
• Molecular Formula: C9H5ClN2O
• Molecular Weight: 192.60200
• DSSTox Substance ID: DTXSID80483877
• Wikidata: Q82321686

Synonyms:57268-49-2;1,2-Benzisoxazole-3-acetonitrile, 5-chloro-;2-(5-chlorobenzo[d]isoxazol-3-yl)acetonitrile;2-(5-CHLORO-1,2-BENZOXAZOL-3-YL)ACETONITRILE;DTXSID80483877

Chemical Property of 1,2-Benzisoxazole-3-acetonitrile, 5-chloro-

Chemical Property:

• Melting Point: 76-78 °C(Solv: benzene (71-43-2); hexane (110-54-3))
• Boiling Point: 369.7±27.0 °C(Predicted)
• PSA: 49.82000
• Density: 1.398±0.06 g/cm3(Predicted)
• LogP: 2.54728
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 192.0090405
• Heavy Atom Count: 13
• Complexity: 237

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC2=C(C=C1Cl)C(=NO2)CC#N

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