2-Carboxybenzeneboronic Acid
Product Information
Molecular Formula
C7H7O4B
Molecular Weight
165.94
Description
2-Carboxybenzeneboronic Acid (CAS# 149105-19-1) is used in the studies on a new class of carbohydrate-binding boronic acids called the boronophthalide; a sugar-binding boronic acids that is soluble and capable of complexing glycosides in neutral water.
Synonyms
2-boronobenzoic acid; 2-boronobenzoic acid
IUPAC Name
2-boronobenzoic acid
SMILES
B(C1=CC=CC=C1C(=O)O)(O)O
InChI
InChI=1S/C7H7BO4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4,11-12H,(H,9,10)
InChI Key
KWNPRVWFJOSGMZ-UHFFFAOYSA-N
Boiling Point
412.3 °C at 760 mmHg
Flash Point
Not applicable
Density
1.4 g/cm3
Appearance
White crystalline powder
LogP
-0.93540
Safety Information
Hazards
H319 - H335
Precautionary Statement
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word
Warning
Computed Properties
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
2
Exact Mass
166.0437389 g/mol
Monoisotopic Mass
166.0437389 g/mol
Topological Polar Surface Area
77.8Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
171
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
1
Compound Is Canonicalized
Yes
Patents
| Publication Number | Title | Priority Date |
|---|---|---|
| CN-113861965-A | Composite fluorescent material with multiple fluorescent characteristics and preparation method and application thereof | 2021-11-09 |
| CN-113913050-A | Preparation of MOF fluorescent ink and application of MOF fluorescent ink in ion concentration detection | 2021-11-09 |
| CN-114099416-A | Multifunctional injectable hydrogel with microenvironment response and preparation method and application thereof | 2021-10-28 |
| CN-113930241-A | Nonmetal boron and nitrogen co-doped phosphorescent carbon quantum dot material and preparation method and application thereof | 2021-10-25 |
| CN-114081953-A | Prodrug dendrimer nano-carrier and preparation method and application thereof | 2021-10-19 |
| CN-114146176-A | Preparation method of diagnosis and treatment integrated nanoparticles for realizing colon cancer by combining antibiosis and antitumor | 2021-10-15 |
| CN-113756113-A | ATP activation-based wool fiber low-temperature deepening dyeing modification method | 2021-09-10 |
| CN-113583370-A | Application of phenylboronic acid derivative | 2021-08-31 |
| CN-113651934-A | Boride modified thermosetting phenolic resin and preparation and degradation method of composite material thereof | 2021-08-31 |
| CN-113634240-A | Fluorescent magnetic composite nanofiber, and preparation method and application thereof | 2021-08-26 |
Literatures
| PMID | Publication Date | Title | Journal |
|---|---|---|---|
| 22978786 | 2012-10-24 | A structure-function relationship for the optical modulation of phenyl boronic acid-grafted, polyethylene glycol-wrapped single-walled carbon nanotubes | Journal of the American Chemical Society |
