2-METHYLINDAZOLE-6-BORONICACID

Inquiry

Molecular Formula:

C8H9BNO2

CAS Number:

1001907-57-8

Catalog Number:

1001907-57-8

Product Information

Molecular Formula:

C8H9BNO2

Description

2-METHYLINDAZOLE-6-BORONICACID is a valuable compound widely used in the biomedical industry. This product is utilized as a key intermediate in the synthesis of potential drugs for treating various diseases including cancer and inflammatory disorders. Its unique boronic acid functionality enables it to participate in diverse chemical reactions, making it an indispensable tool for medicinal chemistry research and drug development.

Synonyms

2-METHYLINDAZOLE-6-BORONICACID; 2-Methyl-2H-indazole-6-boronic acid

IUPAC Name

(2-methylindazol-6-yl)boronic acid

Canonical SMILES

B(C1=CC2=NN(C=C2C=C1)C)(O)O

InChI

InChI=1S/C8H9BN2O2/c1-11-5-6-2-3-7(9(12)13)4-8(6)10-11/h2-5,12-13H,1H3

InChI Key

JADBVQWCMHPPQA-UHFFFAOYSA-N

Boiling Point

430.8°C at 760 mmHg

Melting Point

105-110 °C

Flash Point

Not applicable

Purity

95%

Density

1.27 g/cm3

Storage

2-8°C

Safety Information

Hazards

H302 - H315 - H319 - H335

Precautionary Statement

P301 + P312 + P330 - P302 + P352 - P305 + P351 + P338

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

176.0757077 g/mol

Monoisotopic Mass

176.0757077 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
TW-201800409-A	Heterocyclic compound as an immunomodulator	2016-06-20
AU-2021250978-A1	Heterocyclic compounds as immunomodulators	2016-06-20
AU-2016335043-A1	Compounds for treatment of cancer and epigenetics	2015-10-09
CA-3001452-A1	Compounds for treatment of cancer and epigenetics	2015-10-09
CN-108419435-A	Compound and epigenetics for treating cancer	2015-10-09
EP-3371151-A1	Compounds for treatment of cancer and epigenetics	2015-10-09
JP-2018534276-A	Compounds for cancer treatment and epigenetics	2015-10-09
KR-20180061316-A	Compounds for the treatment and prophylactic genetics of cancer	2015-10-09
US-2019071416-A1	Compounds for treatment of cancer and epigenetics	2015-10-09
WO-2017061957-A1	Compounds for treatment of cancer and epigenetics	2015-10-09

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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