(4-amino-3-nitrophenyl)boronic acid

Inquiry

Molecular Formula:

C6H7BN2O4

Molecular Weight:

181.942

CAS Number:

89466-07-9

Catalog Number:

89466-07-9

Product Information

Molecular Formula:

C6H7BN2O4

Molecular Weight:

181.942

Description

(4-amino-3-nitrophenyl)boronic acid is a biomedical compound used as a chemical reagent in the development of pharmaceutical drugs. It is involved in Suzuki cross-coupling reactions, contributing to the synthesis of effective cancer medication.

Synonyms

4-Amino-3-nitrophenylboronicacid; (4-amino-3-nitrophenyl)boronic acid; (4-amino-3-nitro-phenyl)boronic acid; 4-Amino-3-nitrophenylboronic acid, technical grade, 90%

IUPAC Name

(4-amino-3-nitrophenyl)boronic acid

Canonical SMILES

B(C1=CC(=C(C=C1)N)[N+](=O)[O-])(O)O

InChI

InChI=1S/C6H7BN2O4/c8-5-2-1-4(7(10)11)3-6(5)9(12)13/h1-3,10-11H,8H2

InChI Key

IRTXQNNJQZNKRP-UHFFFAOYSA-N

Melting Point

215-225 °C (dec.)

Flash Point

Not applicable

Purity

90%

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

182.0498869 g/mol

Monoisotopic Mass

182.0498869 g/mol

Topological Polar Surface Area

112Å²

Heavy Atom Count

Formal Charge

Complexity

196

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)

Mass

Concentration

Volume

Molecular Weight *

Calculate

The dilution calculator equation

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

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

Concentration _(start)

Volume _(start)

Concentration _(final)

Volume _(final)

Calculate

(4-amino-3-nitrophenyl)boronic acid

Product Information

Computed Properties

Related Products