4-(2H-Tetrazol-5-yl)phenylboronic Acid

Inquiry

Molecular Formula:

C7H7N4O2B

Molecular Weight:

189.97

CAS Number:

179942-55-3

Catalog Number:

179942-55-3

Product Information

Molecular Formula:

C7H7N4O2B

Molecular Weight:

189.97

Description

Product is used as a reactant for palladium-catalyzed carbon-carbon bond formation (Suzuki-Miyuara reaction).

Synonyms

[4-(2H-tetrazol-5-yl)phenyl]boronic acid; [4-(2H-tetrazol-5-yl)phenyl]boronic acid

IUPAC Name

[4-(2H-tetrazol-5-yl)phenyl]boronic acid

Canonical SMILES

B(C1=CC=C(C=C1)C2=NNN=N2)(O)O

InChI

InChI=1S/C7H7BN4O2/c13-8(14)6-3-1-5(2-4-6)7-9-11-12-10-7/h1-4,13-14H,(H,9,10,11,12)

InChI Key

DXUPJOQUAAVAGV-UHFFFAOYSA-N

Boiling Point

480.3 °C at 760 mmHg

Melting Point

174-179 °C (Decomposition)

Flash Point

Not applicable

Density

1.51 g/cm³

Appearance

Solid

Storage

2-8 °C

LogP

-1.45350

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

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

190.0662056 g/mol

Monoisotopic Mass

190.0662056 g/mol

Topological Polar Surface Area

94.9Å²

Heavy Atom Count

Formal Charge

Complexity

187

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

Patents

Publication Number	Title	Priority Date
CN-113861188-A	Pyrazolo [3,4-b ] pyridine derivative, preparation method thereof and application thereof as HPK1 inhibitor	2021-08-23
US-2020361939-A1	Modulators of alpha-1 antitrypsin	2019-05-14
US-2021261545-A1	Tricyclic protein kinase inhibitors for promoting liver regeneration or reducing or preventing hepatocyte death	2018-06-21
US-2019300569-A1	Peptide macrocycles against acinetobacter baumannii	2018-03-28
WO-2019185572-A1	Peptide macrocycles against acinetobacter baumannii	2018-03-28
CN-111886019-A	Peptide macrocycles against acinetobacter baumannii	2018-03-28
EP-3773655-A1	Peptide macrocycles against acinetobacter baumannii	2018-03-28
JP-2021519286-A	Peptide macrocycle molecule for Acinetobacter baumannii	2018-03-28
WO-2019149738-A1	Protein kinase mkk4 inhibitors for promoting liver regeneration or reducing or preventing hepatocyte death	2018-01-31
AU-2019216264-A1	Protein kinase MKK4 inhibitors for promoting liver regeneration or reducing or preventing hepatocyte death	2018-01-31

The molarity calculator equation

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

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The dilution calculator equation

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This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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