Home Sulfos 3-Nitrobenzenesulfonic acid

3-Nitrobenzenesulfonic acid

CAS No.:
98-47-5
Catalog Number:
AG00IK08
Molecular Formula:
C6H5NO5S
Molecular Weight:
203.1726
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$38
- +
5g
98%
In Stock USA
United States
$150
- +
Product Description
Catalog Number:
AG00IK08
Chemical Name:
3-Nitrobenzenesulfonic acid
CAS Number:
98-47-5
Molecular Formula:
C6H5NO5S
Molecular Weight:
203.1726
MDL Number:
MFCD00064383
IUPAC Name:
3-nitrobenzenesulfonic acid
InChI:
InChI=1S/C6H5NO5S/c8-7(9)5-2-1-3-6(4-5)13(10,11)12/h1-4H,(H,10,11,12)
InChI Key:
ONMOULMPIIOVTQ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc(c1)S(=O)(=O)O
EC Number:
202-671-7
Properties
Complexity:
287  
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
Literature
Title Journal
4-{2-[4-(Dimethyl-amino)-phen-yl]ethen-yl}-1-methyl-pyridinium 4-nitro-benzene-sulfonate. Acta crystallographica. Section E, Structure reports online 20120401
HPLC method for determination of biologically active epoxy-transformers of treosulfan in human plasma: pharmacokinetic application. Journal of pharmaceutical and biomedical analysis 20120325
Degradation of the synthetic dye amaranth by the fungus Bjerkandera adusta Dec 1: inference of the degradation pathway from an analysis of decolorized products. Biodegradation 20111101
Synthesis and characterization of high-affinity 4,4-difluoro-4-bora-3a,4a-diaza-s-indacene-labeled fluorescent ligands for human β-adrenoceptors. Journal of medicinal chemistry 20111013
Photocatalytic reduction of nitrobenzenes to aminobenzenes in aqueous suspensions of titanium(IV) oxide in the presence of hole scavengers under deaerated and aerated conditions. Physical chemistry chemical physics : PCCP 20110321
2,2'-Bipyridin-1-ium 3-nitro-benzene-sulfonate. Acta crystallographica. Section E, Structure reports online 20100301
Asymmetric cooperative catalysis of strong Brønsted acid-promoted reactions using chiral ureas. Science (New York, N.Y.) 20100219
Synthesis of unprecedented scaffold diversity. Angewandte Chemie (International ed. in English) 20090101
S-Benzyl-thio-uronium 3-nitro-benzene-sulfonate. Acta crystallographica. Section E, Structure reports online 20080701
3'-Sulfonylesters of 2,5'-anhydro-1-(2-deoxy-beta-d-threo-pentofuranosyl)thymine as precursors for the synthesis of [(18)F]FLT: syntheses and radiofluorination trials. Nuclear medicine and biology 20080501
Synthesis of the aziridinomitosene skeleton by intramolecular Michael addition: alpha-lithioaziridines and nonaromatic substrates. The Journal of organic chemistry 20040319
Mass spectrometric strategies for the analysis of polar industrial chemicals and their by-products in wastewater and surface water. Journal of chromatography. A 20021018
Kinetics of ozone reactions with 1-naphthalene, 1,5-naphthalene and 3-nitrobenzene sulphonic acids in aqueous solutions. Water science and technology : a journal of the International Association on Water Pollution Research 20010101
Properties