Home Sulfos Methyl 4-nitrobenzenesulfonate

Methyl 4-nitrobenzenesulfonate

CAS No.:
6214-20-6
Catalog Number:
AG003RW2
Molecular Formula:
C7H7NO5S
Molecular Weight:
217.1992
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Product Description
Catalog Number:
AG003RW2
Chemical Name:
Methyl 4-nitrobenzenesulfonate
CAS Number:
6214-20-6
Molecular Formula:
C7H7NO5S
Molecular Weight:
217.1992
MDL Number:
MFCD00007344
IUPAC Name:
methyl 4-nitrobenzenesulfonate
InChI:
InChI=1S/C7H7NO5S/c1-13-14(11,12)7-4-2-6(3-5-7)8(9)10/h2-5H,1H3
InChI Key:
RMNJNEUWTBBZPT-UHFFFAOYSA-N
SMILES:
COS(=O)(=O)c1ccc(cc1)[N+](=O)[O-]
EC Number:
228-282-2
UNII:
HD3FYB9V7W
Properties
Complexity:
293  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.004g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
217.195g/mol
Monoisotopic Mass:
217.004g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
97.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Literature
Title Journal
Ab initio study on SN2 reaction of methyl p-nitrobenzenesulfonate and chloride anion in [mmim][PF6]. Physical chemistry chemical physics : PCCP 20100227
Study of the reaction between methyl 4-nitrobenzenesulfonate and bromide ions in mixed single-chain-gemini micellar solutions: kinetic evidence for morphological transitions. Journal of colloid and interface science 20081215
Local polarity in CO2-expanded acetonitrile: a nucleophilic substitution reaction and solvatochromic probes. The Journal of organic chemistry 20080502
A microscopic view of substitution reactions solvated by ionic liquids. The Journal of chemical physics 20080321
Mechanism of NO transfer from NO-donors (SNAP and G-MNBS) to ferrous tetraphenylporphyrin in CH3OH. Organic letters 20060706
Micellar solutions of sulfobetaine surfactants in water-ethylene glycol mixtures: surface tension, fluorescence, spectroscopic, conductometric, and kinetic studies. Langmuir : the ACS journal of surfaces and colloids 20050802
Water-N,N-dimethylformamide alkyltrimethylammonium bromide micellar solutions: thermodynamic, structural, and kinetic studies. Langmuir : the ACS journal of surfaces and colloids 20050412
Manipulating solute nucleophilicity with room temperature ionic liquids. Journal of the American Chemical Society 20040922
Influence of the addition of alcohol on the reaction methyl-4-nitrobenzenesulfonate + Br(-) in tetradecyltrimethylammonium bromide aqueous micellar solutions. Journal of colloid and interface science 20031001
Properties