4-Methyl-3-nitrophenylboronic Acid

Product Information

Molecular Formula:
C7H8NO4B
Molecular Weight:
180.95
Description
Reactant for: Preparation of inhibitors of lactate dehydrogenase against cancer cell proliferation; Suzuki-Miyaura coupling reactions; Preparation of imidazothiazoles as iodide efflux inhibitors in thyrocytes.
Synonyms
(4-methyl-3-nitrophenyl)boronic acid; (4-methyl-3-nitrophenyl)boronic acid
IUPAC Name
(4-methyl-3-nitrophenyl)boronic acid
Canonical SMILES
B(C1=CC(=C(C=C1)C)[N+](=O)[O-])(O)O
InChI
InChI=1S/C7H8BNO4/c1-5-2-3-6(8(10)11)4-7(5)9(12)13/h2-4,10-11H,1H3
InChI Key
OASVXBRTNVFKFS-UHFFFAOYSA-N
Boiling Point
356.7 °C at 760 mmHg
Melting Point
265-270 °C (lit.)
Flash Point
Not applicable
Purity
≥ 95 %
Density
1.33 g/cm3
LogP
0.10620

Safety Information

Precautionary Statement
P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word
Warning

Computed Properties

Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
1
Exact Mass
181.0546379 g/mol
Monoisotopic Mass
181.0546379 g/mol
Topological Polar Surface Area
86.3Ų
Heavy Atom Count
13
Formal Charge
0
Complexity
193
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes

Patents

Publication Number Title Priority Date
WO-2022037568-A1 Bicyclic compounds, compositions and use thereof 2020-08-17
CN-109608625-B Organic conjugated polymer fluorescent material and synthetic method thereof 2018-11-16
WO-2019229765-A1 Bicycle topoisomerase i inhibiting compounds, process for preparation and use thereof 2018-05-29
EP-3807248-A1 Bicycle topoisomerase i inhibiting compounds, process for preparation and use thereof 2018-05-29
US-2021246128-A1 Bicycle topoisomerase i inhibiting compounds, process for preparation and use thereof 2018-05-29
US-2020018746-A1 Three-Dimensional Human Neural Tissues for CRISPR-Mediated Perturbation of Disease Genes 2018-03-14
AU-2018349293-A1 Novel phenylpyridine derivative and pharmaceutical composition comprising the same 2017-10-11
CA-3076667-A1 Phenylpyridine derivative and pharmaceutical composition comprising the same 2017-10-11
CN-111212833-A Novel phenylpyridine derivative and pharmaceutical composition comprising same 2017-10-11
KR-20190040773-A Novel phenyl pyridine derivatives and pharmaceutical composition comprising the same 2017-10-11
The molarity calculator equation

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

The dilution calculator equation

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

This equation is commonly abbreviated as: C1V1 = C2V2

Related Products

Online Inquiry
  • Verification code
USA
  • International:
  • US & Canada (Toll free):
  • Email:
  • Fax:
UK
  • Email:
Copyright © 2024 BOC Sciences. All rights reserved.
Top
Inquiry Basket