1H-Pyrazol-3-ylboronic acid hydrate

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Molecular Formula:

C3H5BN2O2 · xH2O

Molecular Weight:

111.90 (anhydrous basis)

Product Information

Molecular Formula:

C3H5BN2O2 · xH2O

Molecular Weight:

111.90 (anhydrous basis)

Description

Reactant for:• Preparation of receiver-amplifier, self-immolative dendrimers as potential platform for self-triggered multiple-release prodrugs• Preparation of bifunctional water-soluble triazole-containing derivatives of ethyl(hydroxycamptothecin) via click chemistry and conjugation to monoclonal antibodies for anticancer therapy• Intermediate for synthesis of oligo(ethylene glycol)-terminated alkanethiol amides useful for biosensors

Synonyms

Pyrazole-3-boronic Acid Hydrate; 1H-Pyrazole-3-boronic acid hydrate; 1310383-92-6; 1H-Pyrazol-3-ylboronic acid hydrate; 1H-pyrazol-5-ylboronic acid; hydrate; (1H-PYRAZOL-3-YL)BORONIC ACID HYDRATE; Pyrazole-3-boronicAcidHydrate; (1H-pyrazol-5-yl)boronic acid hydrate

IUPAC Name

1H-pyrazol-5-ylboronic acidhydrate

Canonical SMILES

B(C1=CC=NN1)(O)O.O

InChI

InChI=1S/C3H5BN2O2.H2O/c7-4(8)3-1-2-5-6-3/h1-2,7-8H,(H,5,6)1H2

InChI Key

NXQCQMBEFQLICU-UHFFFAOYSA-N

Melting Point

88-93 °C

Flash Point

Not applicable

Storage

2-8°C

Safety Information

Hazards

H315 - H319 - H335

Precautionary Statement

P302 + P352 - P305 + P351 + P338

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

130.0549723 g/mol

Monoisotopic Mass

130.0549723 g/mol

Topological Polar Surface Area

70.1Å²

Heavy Atom Count

Formal Charge

Complexity

79.7

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

The molarity calculator equation

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

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The dilution calculator equation

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

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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1H-Pyrazol-3-ylboronic acid hydrate

Product Information

Safety Information

Computed Properties

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