4-(Methylsulfonyl)-2-nitrobenzaldehyde

Base Information

• Chemical Name: 4-(Methylsulfonyl)-2-nitrobenzaldehyde
• CAS No.: 849035-66-1
• Molecular Formula: C8H7 N O5 S
• Molecular Weight: 229.213
• Hs Code.: 2913000090
• European Community (EC) Number: 674-389-6
• DSSTox Substance ID: DTXSID10375514
• Wikidata: Q82164066
• Mol file: 849035-66-1.mol

Synonyms:4-(Methylsulfonyl)-2-nitrobenzaldehyde;849035-66-1;4-methylsulfonyl-2-nitrobenzaldehyde;4-methanesulfonyl-2-nitrobenzaldehyde;4-(methylsulphonyl)-2-nitrobenzaldehyde;SCHEMBL3222735;DTXSID10375514;HUGPVFHLSSCVSM-UHFFFAOYSA-N;ZIB03566;MFCD04037929;AKOS015852563;PS-10472;CS-0180986;FT-0676961;A863923;5-HYDROXY-2-PHENYL-BENZOFURAN-3-CARBOXYLICACIDETHYLESTER

Chemical Property of 4-(Methylsulfonyl)-2-nitrobenzaldehyde

Chemical Property:

• PSA: 105.41000
• LogP: 2.41480
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 229.00449350
• Heavy Atom Count: 15
• Complexity: 352

Purity/Quality:

98%Min ^*data from raw suppliers

4-(Methylsulfonyl)-2-nitrobenzaldehyde ^*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=O)[N+](=O)[O-]