1-ethylpyrazole-4-boronic acid

Name: 1-ethylpyrazole-4-boronic acid
Brand: BOC Sciences
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Molecular Formula:

C5H9N2O2B

Molecular Weight:

139.95

CAS Number:

847818-56-8

Catalog Number:

BPM-366860

Product Information

Molecular Formula

C5H9N2O2B

Molecular Weight

139.95

Description

1-Ethylpyrazole-4-boronic Acid (CAS# 847818-56-8) is a useful research chemical.

Synonyms

(1-ethyl-4-pyrazolyl)boronic acid; (1-ethylpyrazol-4-yl)boronic acid

IUPAC Name

(1-ethylpyrazol-4-yl)boronic acid

SMILES

B(C1=CN(N=C1)CC)(O)O

InChI

InChI=1S/C5H9BN2O2/c1-2-8-4-5(3-7-8)6(9)10/h3-4,9-10H,2H2,1H3

InChI Key

IIBSDEGSGLVNOY-UHFFFAOYSA-N

Flash Point

Not applicable

LogP

-1.41720

Safety Information

Hazards

H318

Precautionary Statement

P280 - P305 + P351 + P338

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

140.0757077 g/mol

Monoisotopic Mass

140.0757077 g/mol

Topological Polar Surface Area

58.3Å²

Heavy Atom Count

Formal Charge

Complexity

112

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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1-ethylpyrazole-4-boronic acid

Product Information

Safety Information

Computed Properties

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