4-[(4-Methylphenyl)sulfonyl]-3-nitrobenzoic acid

Base Information

• Chemical Name: 4-[(4-Methylphenyl)sulfonyl]-3-nitrobenzoic acid
• CAS No.: 90352-45-7
• Molecular Formula: C14H11 N O6 S
• Molecular Weight: 321.31
• DSSTox Substance ID: DTXSID40384114
• Wikidata: Q82176054
• Mol file: 90352-45-7.mol

Synonyms:4-[(4-methylphenyl)sulfonyl]-3-nitrobenzoic acid;90352-45-7;Maybridge1_001578;4-(4-methylphenyl)sulfonyl-3-nitrobenzoic acid;Oprea1_647350;3-Nitro-4-tosylbenzoic acid;SCHEMBL6899620;HMS545P16;DTXSID40384114;FT-0617315

Chemical Property of 4-[(4-Methylphenyl)sulfonyl]-3-nitrobenzoic acid

Chemical Property:

• Vapor Pressure: 4.5E-13mmHg at 25°C
• Refractive Index: 1.624
• Boiling Point: 553.2°C at 760 mmHg
• Flash Point: 288.4°C
• PSA: 125.64000
• Density: 1.47g/cm³
• LogP: 4.03820
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 321.03070824
• Heavy Atom Count: 22
• Complexity: 527

Purity/Quality:

98%min ^*data from raw suppliers

4-[(4-METHYLPHENYL)SULFONYL]-3-NITROBENZOIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)C2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-]

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