4-Cyano-2-methylphenylboronic Acid
Product Information
Molecular Formula
C8H8NO2B
Molecular Weight
160.97
Description
Reactant involved in: Reactions with (cyanomethylphenyl)boronic acid; Synthesis of oligo-boronic acid receptors with improved structural and electronic properties; Syntesis of aminoalkoxybiphenylnitriles for use as histamine-3 receptor ligands.
Synonyms
(4-cyano-2-methylphenyl)boronic acid; (4-cyano-2-methylphenyl)boronic acid
IUPAC Name
(4-cyano-2-methylphenyl)boronic acid
SMILES
B(C1=C(C=C(C=C1)C#N)C)(O)O
InChI
InChI=1S/C8H8BNO2/c1-6-4-7(5-10)2-3-8(6)9(11)12/h2-4,11-12H,1H3
InChI Key
RGCVYEOTYJCNOS-UHFFFAOYSA-N
Boiling Point
376.106 °C at 760 mmHg
Melting Point
287-305 °C
Flash Point
Not applicable
Purity
≥ 95 %
Density
1.209 g/cm3
Appearance
Solid
LogP
-0.45352
Safety Information
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
1
Exact Mass
161.0648087 g/mol
Monoisotopic Mass
161.0648087 g/mol
Topological Polar Surface Area
64.2Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
199
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-113637472-A | Liposome glucose fluorescent probe with good biocompatibility and preparation method thereof | 2021-08-04 |
| WO-2022053905-A1 | Organic metal complex, light-emitting device, light-emitting apparatus, electronic equipment, and lighting device | 2020-09-11 |
| WO-2022047230-A1 | Compounds, compositions and methods for histone lysine demethylase inhibition | 2020-08-28 |
| WO-2022025174-A1 | Nitrogen-containing heterocyclic compound or salt thereof, use thereof, and intermediate thereof | 2020-07-30 |
| CN-113683631-A | Organic boric acid glucose probe and preparation method and application thereof | 2020-05-19 |
| US-2021101864-A1 | Organic compound, organic light-emitting element, display apparatus, image pickup apparatus, lighting apparatus, and moving object | 2019-10-03 |
| WO-2020151589-A1 | Acylamino bridged heterocyclic compound, and composition and application thereof | 2019-01-25 |
| TW-202041507-A | Amido bridged heterocyclic compound, and composition and application thereof | 2019-01-25 |
| CA-3127701-A1 | Acylamino bridged heterocyclic compound, and composition and application thereof | 2019-01-25 |
| CN-113166116-A | Amido bridged heterocyclic compound, and composition and application thereof | 2019-01-25 |
