5-Mesyl-6-nitrobenzoxazol-2(3H)-one

Base Information

• Chemical Name: 5-Mesyl-6-nitrobenzoxazol-2(3H)-one
• CAS No.: 31770-95-3
• Molecular Formula: C8H6N2O6S
• Molecular Weight: 258.211
• Hs Code.: 2934999090
• European Community (EC) Number: 250-795-5
• UNII: PVS5RED5CG
• DSSTox Substance ID: DTXSID90185638
• Nikkaji Number: J278.184K
• Wikidata: Q72488812
• Mol file: 31770-95-3.mol

Synonyms:31770-95-3;5-Mesyl-6-nitrobenzoxazol-2(3H)-one;5-Methanesulfonyl-6-nitro-3H-benzooxazol-2-one;5-methylsulfonyl-6-nitro-3H-1,3-benzoxazol-2-one;5-(methylsulfonyl)-6-nitrobenzo[d]oxazol-2(3H)-one;PVS5RED5CG;EINECS 250-795-5;5-(Methylsulfonyl)-6-nitro-2(3H)-benzoxazolone;UNII-PVS5RED5CG;C8H6N2O6S;DTXSID90185638;C8-H6-N2-O6-S;FT-0638990;5-(Methylsulfonyl)-6-nitrobenzoxazol-2(3H)-one;A820981;W-106878;2(3H)-BENZOXAZOLONE, 5-(METHYLSULFONYL)-6-NITRO-;5-methanesulfonyl-6-nitro-2,3-dihydro-1,3-benzoxazol-2-one

Chemical Property of 5-Mesyl-6-nitrobenzoxazol-2(3H)-one

Chemical Property:

• Melting Point: 264 °C (decomp)
• Refractive Index: 1.614
• PKA: 6.62±0.70(Predicted)
• PSA: 134.34000
• Density: 1.658 g/cm³
• LogP: 2.03680
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 257.99465709
• Heavy Atom Count: 17
• Complexity: 450

Purity/Quality:

99.9% ^*data from raw suppliers

5-METHANESULFONYL-6-NITRO-3H-BENZOOXAZOL-2-ONE 98.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CS(=O)(=O)C1=C(C=C2C(=C1)NC(=O)O2)[N+](=O)[O-]