Bis[3-dihydroxyboranyl)benzenaminium] sulfate
Product Information
Molecular Formula
C12H18B2N2O8S
Molecular Weight
371.96
Description
3-Aminophenylboronic acid hemisulfate salt is used in the synthesis of:• Phenylboronic acid-functionalized inverse opal hydrogels within microfluidic flow cells for glucose sensing.• Phenylboronic acid-salicylhydroxamic acid-derived complexing reagent for protein immobilization on chromatographic support.It can also be used in the preparation of phenylboronic acid (PBA) monolayer-modified Au electrode for the voltammetric sensing of uridine and cytidine.
Synonyms
Boronic acid, (3-aminophenyl)-, sulfate (2:1); (3-Aminophenyl)boric acid hemisulfate
IUPAC Name
(3-aminophenyl)boronic acid;sulfuric acid
SMILES
O=S(=O)(O)O.OB(O)C=1C=CC=C(N)C1
InChI
InChI=1S/C6H8BNO2.H2O4S/c8-6-3-1-2-5(4-6)7(9)10;1-5(2,3)4/h1-4,9-10H,8H2;(H2,1,2,3,4)
InChI Key
XMVGYYBQCXVVHU-UHFFFAOYSA-N
Boiling Point
376°C at 760 mmHg
Melting Point
300°C
Flash Point
Not applicable
Purity
95%
Density
1.23g/cm3
Appearance
off-white crystalline powder
Storage
0-6°C
Safety Information
Hazards
H315 - H319
Precautionary Statement
P302 + P352 - P305 + P351 + P338
Computed Properties
Hydrogen Bond Donor Count
8
Hydrogen Bond Acceptor Count
10
Rotatable Bond Count
2
Exact Mass
372.0969970 g/mol
Monoisotopic Mass
372.0969970 g/mol
Topological Polar Surface Area
216Ų
Heavy Atom Count
25
Formal Charge
0
Complexity
191
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
3
Compound Is Canonicalized
Yes
