6-Ethoxynaphthalene-2-boronic Acid
Product Information
Molecular Formula
C12H13O3B
Molecular Weight
216.04
Description
6-Ethoxynaphthalene-2-boronic Acid (CAS# 352525-98-5) is a useful research chemical.
Synonyms
(6-ethoxy-2-naphthalenyl)boronic acid; (6-ethoxynaphthalen-2-yl)boronic acid
IUPAC Name
(6-ethoxynaphthalen-2-yl)boronic acid
SMILES
B(C1=CC2=C(C=C1)C=C(C=C2)OCC)(O)O
InChI
InChI=1S/C12H13BO3/c1-2-16-12-6-4-9-7-11(13(14)15)5-3-10(9)8-12/h3-8,14-15H,2H2,1H3
InChI Key
INXXVGFSXYJGHI-UHFFFAOYSA-N
Boiling Point
423.2 °C at 760 mmHg
Melting Point
252-255 °C (lit.)
Flash Point
Not applicable
Density
1.2 g/cm3
LogP
0.91830
Safety Information
Hazards
H315 - 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
2
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
3
Exact Mass
216.0957744 g/mol
Monoisotopic Mass
216.0957744 g/mol
Topological Polar Surface Area
49.7Ų
Heavy Atom Count
16
Formal Charge
0
Complexity
222
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-111559990-A | Micromolecular oxathiazine derivative and application thereof | 2020-05-29 |
| CN-111559990-B | Micromolecular oxathiazine derivative and application thereof | 2020-05-29 |
| WO-2021238587-A1 | Micromolecular oxathiazine derivative and use thereof | 2020-05-29 |
| JP-2020019766-A | Compound and method for producing the same | 2018-07-23 |
| JP-2020021063-A | Optical filter and display device | 2018-07-23 |
| WO-2020022134-A1 | Compound and method for producing same | 2018-07-23 |
| WO-2020022135-A1 | Optical filter and display device | 2018-07-23 |
| CN-112469695-A | Compound and method for producing same | 2018-07-23 |
| CN-112470045-A | Optical filter and display device | 2018-07-23 |
| KR-20210034554-A | Compound and its preparation method | 2018-07-23 |
