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
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 |
