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Home Sulfos Benzenesulfonic acid, 4-nitro-

Benzenesulfonic acid, 4-nitro-

CAS No.:
138-42-1
Catalog Number:
AG0017T5
Molecular Formula:
C6H5NO5S
Molecular Weight:
203.1726
Pack Size
Purity
Availability
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Quantity
  
1g
In Stock USA
United States
$31
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5g
In Stock USA
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$69
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25g
In Stock USA
United States
$207
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100g
In Stock USA
United States
$432
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Product Description
Catalog Number:
AG0017T5
Chemical Name:
Benzenesulfonic acid, 4-nitro-
CAS Number:
138-42-1
Molecular Formula:
C6H5NO5S
Molecular Weight:
203.1726
MDL Number:
MFCD09037353
IUPAC Name:
4-nitrobenzenesulfonic acid
InChI:
InChI=1S/C6H5NO5S/c8-7(9)5-1-3-6(4-2-5)13(10,11)12/h1-4H,(H,10,11,12)
InChI Key:
SPXOTSHWBDUUMT-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)S(=O)(=O)O
EC Number:
205-329-5
NSC Number:
5376
Properties
Complexity:
279  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.989g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
203.168g/mol
Monoisotopic Mass:
202.989g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Literature
Title Journal
1-(4-Methyl-phen-yl)-3-phenyl-1H-pyrazol-5-yl 4-nitro-benzene-sulfonate. Acta crystallographica. Section E, Structure reports online 20120401
4-{2-[4-(Dimethyl-amino)-phen-yl]ethen-yl}-1-methyl-pyridinium 4-nitro-benzene-sulfonate. Acta crystallographica. Section E, Structure reports online 20120401
1H-1,2,4-Triazol-4-ium 4-nitro-benzene-sulfonate monohydrate. Acta crystallographica. Section E, Structure reports online 20111001
Novel 2-substituted quinolin-4-yl-benzenesulfonate derivatives: synthesis, antiproliferative activity, and inhibition of cellular tubulin polymerization. ChemMedChem 20110606
Activation of sulfonate ester based matrix metalloproteinase proinhibitors by hydrogen peroxide. Journal of biological inorganic chemistry : JBIC : a publication of the Society of Biological Inorganic Chemistry 20110201
Triethyl-ammonium 4-nitro-benzene-sulfonate. Acta crystallographica. Section E, Structure reports online 20100701
Copper powder-catalyzed regio- and stereoselective aminobromination of alpha,beta-unsaturated ketones with TsNH2 and NBS as nitrogen and halogen sources. The Journal of organic chemistry 20090206
Highly stereoselective Saucy-Marbet rearrangement using chiral ynamides. Synthesis of highly substituted chiral homoallenyl alcohols. Organic letters 20030724
The first stereoselective Ficini-Claisen rearrangement using chiral ynamides. Organic letters 20020418
Properties