2-(4-Methylsulfonyl-2-nitrophenyl)malondialdehyde

Base Information

• Chemical Name: 2-(4-Methylsulfonyl-2-nitrophenyl)malondialdehyde
• CAS No.: 197251-71-1
• Molecular Formula: C₁₀H₉NO₆S
• Molecular Weight: 271.251
• Hs Code.: 2913000090
• European Community (EC) Number: 811-273-8
• DSSTox Substance ID: DTXSID70371734
• Wikidata: Q82159177
• Mol file: 197251-71-1.mol

Synonyms:197251-71-1;2-(4-Methylsulfonyl-2-nitrophenyl)malondialdehyde;2-(4-(Methylsulfonyl)-2-nitrophenyl)malonaldehyde;2-(4-methylsulfonyl-2-nitrophenyl)propanedial;[4-(Methanesulfonyl)-2-nitrophenyl]propanedial;2-(4-methylsulphonyl-2-nitrophenyl)malondialdehyde;2-[4-(methylsulphonyl)-2-nitrophenyl]malondialdehyde;SCHEMBL2556698;DTXSID70371734;2-(4-METHYLSULPHONYL-2-NITROPHENYL)MALONDIALDEHYDE, 95;XHA25171;MFCD00216509;AKOS026670488;2-(4-methylsulphonyl-2-nitrophenyl) malondialdehyde;2-(4-Methylsulphonyl-2-nitrophenyl)malondialdehyde,95%

Chemical Property of 2-(4-Methylsulfonyl-2-nitrophenyl)malondialdehyde

Chemical Property:

• Vapor Pressure: 9.21E-14mmHg at 25°C
• Melting Point: 213-219oC
• Refractive Index: 1.7330 (estimate)
• Boiling Point: 568.5°Cat760mmHg
• PKA: 1.65±0.10(Predicted)
• Flash Point: 297.6°C
• PSA: 122.48000
• Density: 1.488g/cm³
• LogP: 2.08370
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 271.01505818
• Heavy Atom Count: 18
• Complexity: 426

Purity/Quality:

97% ^*data from raw suppliers

2-[4-(Methylsulfonyl)-2-nitrophenyl]malondialdehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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