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
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 |
