6-Chloro-7-nitro-3 H-isobenzofuran-1-one

Base Information

• Chemical Name: 6-Chloro-7-nitro-3 H-isobenzofuran-1-one
• CAS No.: 886497-05-8
• Molecular Formula: C8H4ClNO4
• Molecular Weight: 213.57
• European Community (EC) Number: 675-317-6
• DSSTox Substance ID: DTXSID90428315
• Wikidata: Q82241139
• Mol file: 886497-05-8.mol

Synonyms:886497-05-8;6-CHLORO-7-NITRO-3 H-ISOBENZOFURAN-1-ONE;6-Chloro-7-Nitroisobenzofuran-1(3H)-one;6-chloro-7-nitro-3H-2-benzofuran-1-one;6-Chloro-7-nitro-3H-isobenzofuran-1-one;DTXSID90428315;AKOS015833811;6-chloranyl-7-nitro-3H-2-benzofuran-1-one;CS-0367382;FT-0652805;6-Chloro-7-nitro-3H-isobenzo[b]furan-1-one;6-chloro-7-nitro-3 h-isobenzo[b]furan-1-one;A842801;6-chloro-7-nitro-1,3-dihydro-2-benzofuran-1-one

Chemical Property of 6-Chloro-7-nitro-3 H-isobenzofuran-1-one

Chemical Property:

• Boiling Point: 453.2±45.0 °C(Predicted)
• PSA: 72.12000
• Density: 1.644±0.06 g/cm3(Predicted)
• LogP: 2.44180
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 212.9828853
• Heavy Atom Count: 14
• Complexity: 277

Purity/Quality:

98% ^*data from raw suppliers

6-Chloro-7-Nitroisobenzofuran-1(3H)-one 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1C2=C(C(=C(C=C2)Cl)[N+](=O)[O-])C(=O)O1