1-Methyl-1H-indazole-4-boronic acid hydrochloride

Inquiry

Molecular Formula:

C8H10BClN2O2

Molecular Weight:

212.44

CAS Number:

1257527-53-9

Catalog Number:

1257527-53-9

Product Information

Molecular Formula:

C8H10BClN2O2

Molecular Weight:

212.44

Description

1-Methyl-1H-indazole-4-boronic acid hydrochloride is a biocompatible chemical compound found to be instrumental in cancer pharmacotherapy, particularly in targeted drug design due to its boronic acid moiety. Used in bio-conjugation studies related to protein labeling and cell tracking.

Synonyms

1-Methyl-1H-indazole-4-boronic acid hydrochloride; 1-METHYL-1H-INDAZOLE-4-BORONIC ACID, HCL SALT; (1-methylindazol-4-yl)boronic acid; hydrochloride; (1-Methyl-1H-indazol-4-yl)boronicacidhydrochloride; 1-METHYL-1H-INDAZOLE-4-BORONIC ACID, HYDROCHLORIDE SALT; (1-Methyl-1H-indazol-4-yl)boronic acid--hydrogen chloride (1/1)

IUPAC Name

(1-methylindazol-4-yl)boronic acidhydrochloride

Canonical SMILES

B(C1=C2C=NN(C2=CC=C1)C)(O)O.Cl

InChI

InChI=1S/C8H9BN2O2.ClH/c1-11-8-4-2-3-7(9(12)13)6(8)5-10-11/h2-5,12-13H,1H31H

InChI Key

KHFSEMAIXIWYGM-UHFFFAOYSA-N

Melting Point

118-123 °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

212.0523854 g/mol

Monoisotopic Mass

212.0523854 g/mol

Topological Polar Surface Area

58.3Å²

Heavy Atom Count

Formal Charge

Complexity

191

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
WO-2011127933-A1	Bi-functional complexes and methods for making and using such complexes	2010-04-16

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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