4-Ethoxy-3-formylphenylboronic acid

Product Information

Molecular Formula:
C9H11BO4
Molecular Weight:
193.99
Description
4-Ethoxy-3-formylphenylboronic acid (CAS# 480424-63-3) is a useful research chemical.
Synonyms
(4-ethoxy-3-formylphenyl)boronic acid
IUPAC Name
(4-ethoxy-3-formylphenyl)boronic acid
Canonical SMILES
B(C1=CC(=C(C=C1)OCC)C=O)(O)O
InChI
InChI=1S/C9H11BO4/c1-2-14-9-4-3-8(10(12)13)5-7(9)6-11/h3-6,12-13H,2H2,1H3
InChI Key
ODRRAKCLFURNFU-UHFFFAOYSA-N
Boiling Point
399.962 °C at 760 mmHg
Melting Point
175-189 °C
Purity
95 %
Density
1.218 g/cm3
Appearance
White to tan powder, crystals, crystalline powder and/or chunks
Storage
2-8 °C
LogP
-0.42240

Safety Information

Hazards
H314
Precautionary Statement
P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501
Signal Word
Danger

Computed Properties

Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
4
Exact Mass
194.0750390 g/mol
Monoisotopic Mass
194.0750390 g/mol
Topological Polar Surface Area
66.8Ų
Heavy Atom Count
14
Formal Charge
0
Complexity
186
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
WO-2012150206-A2 Novel cyclopropanoic acid ester derivatives as pest control agents 2011-05-04
WO-2012150207-A1 Use of cyclopropanecarboxylic acid ester derivatives for controlling insecticide-resistant insects 2011-05-04
JP-2012102073-A (Trifluorovinyl) benzenes and process for producing the same 2010-09-17
JP-5833392-B2 (Trifluorovinyl) benzenes and process for producing the same 2010-09-17
WO-2011085269-A1 Raf kinase inhibitors 2010-01-08
US-2012149693-A1 Therapeutic compounds 2009-05-05
US-2015315127-A1 Therapeutic compounds 2009-05-05
US-9024071-B2 Therapeutic compounds 2009-05-05
US-2008182859-A1 Small organic molecule regulators of cell proliferation 2006-11-02
US-2008193423-A1 Small organic molecule regulators of cell proliferation 2006-11-02
The molarity calculator equation

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

The dilution calculator equation

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

This equation is commonly abbreviated as: C1V1 = C2V2

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