Home Boronic acids 3-Nitrophenylboronic acid

3-Nitrophenylboronic acid

CAS No.:
13331-27-6
Catalog Number:
AG0014LU
Molecular Formula:
C6H6BNO4
Molecular Weight:
166.9271
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
95%
In Stock USA
United States
$13
- +
25g
95%
In Stock USA
United States
$38
- +
Product Description
Catalog Number:
AG0014LU
Chemical Name:
3-Nitrophenylboronic acid
CAS Number:
13331-27-6
Molecular Formula:
C6H6BNO4
Molecular Weight:
166.9271
MDL Number:
MFCD00007193
IUPAC Name:
(3-nitrophenyl)boronic acid
InChI:
InChI=1S/C6H6BNO4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4,9-10H
InChI Key:
ZNRGSYUVFVNSAW-UHFFFAOYSA-N
SMILES:
OB(c1cccc(c1)[N+](=O)[O-])O
Properties
Complexity:
169  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.039g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
166.927g/mol
Monoisotopic Mass:
167.039g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
86.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
Title Journal
Nitrophenylboronic acids as highly chemoselective probes to detect hydrogen peroxide in foods and agricultural products. Journal of agricultural and food chemistry 20111109
Direct analysis of polyols using 3-nitrophenylboronic acid in capillary electrophoresis: thermodynamic and electrokinetic principles of molecular recognition. Analytical and bioanalytical chemistry 20101001
Phenylboronic-acid-based carbohydrate binders as antiviral therapeutics: monophenylboronic acids. Antiviral chemistry & chemotherapy 20100811
Structural study of phenyl boronic acid derivatives as AmpC beta-lactamase inhibitors. Bioorganic & medicinal chemistry letters 20100601
Boronic acid catalyzed ene carbocyclization of acetylenic dicarbonyl compounds. Chemical communications (Cambridge, England) 20100407
Synthesis and evaluation of 3-(dihydroxyboryl)benzoic acids as D,D-carboxypeptidase R39 inhibitors. Journal of medicinal chemistry 20091008
A pharmacological MRI assessment of dizocilpine (MK-801) in the 3-nitroproprionic acid-lesioned rat. Neuroscience letters 20081017
Kinetic evidence for high reactivity of 3-nitrophenylboronic acid compared to its conjugate boronate ion in reactions with ethylene and propylene glycols. Inorganic chemistry 20080303
Electrokinetic probes for single-step screening of polyol stereoisomers: the virtues of ternary boronate ester complex formation. Chemical communications (Cambridge, England) 20080121
Aminophenyl- and nitrophenyl-labeled nucleoside triphosphates: synthesis, enzymatic incorporation, and electrochemical detection. Angewandte Chemie (International ed. in English) 20080101
Structures of carbohydrate-boronic acid complexes determined by NMR and molecular modelling in aqueous alkaline media. Organic & biomolecular chemistry 20040521
3-Methoxycarbonyl-5-nitrophenyl boronic acid: high affinity diol recognition at neutral pH. Bioorganic & medicinal chemistry letters 20040105
Inhibition of the enzymatic activity of prostate-specific antigen by boric acid and 3-nitrophenyl boronic acid. The Prostate 20030101
Structure-based approach for binding site identification on AmpC beta-lactamase. Journal of medicinal chemistry 20020718
Parallel synthesis of oxazolines and thiazolines by tandem condensation-cyclodehydration of carboxylic acids with amino alcohols and aminothiols. Journal of combinatorial chemistry 20020101
Properties