6-Ethoxynaphthalene-2-boronic Acid

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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
Canonical 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
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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