2-Carboxybenzeneboronic Acid - CAS 149105-19-1
Catalog: |
BB010376 |
Product Name: |
2-Carboxybenzeneboronic Acid |
CAS: |
149105-19-1 |
Synonyms: |
2-boronobenzoic acid; 2-boronobenzoic acid |
IUPAC Name: | 2-boronobenzoic acid |
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. |
Molecular Weight: | 165.94 |
Molecular Formula: | C7H7O4B |
Canonical 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 ℃ at 760 mmHg |
Flash Point: | Not applicable |
Density: | 1.4 g/cm3 |
Appearance: | White crystalline powder |
MDL: | MFCD01318118 |
LogP: | -0.93540 |
GHS Hazard Statement: | H315 (15.56%): Causes skin irritation [Warning Skin corrosion/irritation] |
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 |
Publication Number | Title | Priority Date |
US-2015366198-A1 | Parasiticidal compositions comprising indole derivatives, methods and uses thereof | 20140619 |
WO-2015196014-A1 | Parasiticidal compositions comprising indole derivatives, methods and uses thereof | 20140619 |
WO-2015191630-A1 | Metabotropic glutamate receptor negative allosteric modulators (nams) and uses thereof | 20140610 |
WO-2015164578-A2 | Non-enzymatic electrochemical sensor for measuring analytes | 20140423 |
WO-2015157187-A1 | Metabotropic glutamate receptor positive allosteric modulators (pams) and uses thereof | 20140406 |
PMID | Publication Date | Title | Journal |
22978786 | 20121024 | 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 |
Complexity: | 171 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 166.0437389 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 166.0437389 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 77.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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