3-Cyanophenylboronic Acid Pinacol Ester

Product Information

Molecular Formula:
C13H16NO2B
Molecular Weight:
229.08
Description
3-Cyanophenylboronic Acid Pinacol Ester (CAS# 214360-46-0) is a useful research chemical.
Synonyms
3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile; 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
IUPAC Name
3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
Canonical SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)C#N
InChI
InChI=1S/C13H16BNO2/c1-12(2)13(3,4)17-14(16-12)11-7-5-6-10(8-11)9-15/h5-8H,1-4H3
InChI Key
FIGQEPXOSAFKTA-UHFFFAOYSA-N
Boiling Point
341 °C at 760 mmHg
Melting Point
78-82 °C (lit.)
Flash Point
Not applicable
Purity
97 %
Density
1.06 g/cm3
LogP
1.85748

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
0
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
1
Exact Mass
229.1274089 g/mol
Monoisotopic Mass
229.1274089 g/mol
Topological Polar Surface Area
42.2Ų
Heavy Atom Count
17
Formal Charge
0
Complexity
329
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-113480543-A 2,6, 8-polysubstituted imidazo [1,2-a ] pyrazine and synthetic method and application thereof 2021-07-07
CN-112018255-A Quantum dot light-emitting device 2020-09-07
WO-2021262684-A1 METHODS AND COMPOUNDS FOR RESTORING MUTANT p53 FUNCTION 2020-06-22
WO-2021224636-A1 Antagonists of the adenosine a2a receptor 2020-05-07
WO-2021159993-A1 Inhibitors of interleukin-1 receptor associated kinase (irak) /fms-like receptor tyrosine kinase (flt3), pharmaceutical products thereof, and methods thereof 2020-02-14
WO-2021155316-A1 Compounds and uses thereof 2020-01-29
KR-20210061202-A Benzonitrile-substituted Fused pyrimidine derivatives and their pharmaceutical use 2019-11-19
WO-2021099832-A2 Adenosine receptor antagonist compounds 2019-11-19
WO-2021099837-A1 Adenosine receptor antagonist compounds 2019-11-19
WO-2021099838-A1 Adenosine receptor antagonist compounds 2019-11-19
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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