2-Chloro-5-methylphenylboronic Acid
Product Information
Molecular Formula
C7H8ClO2B
Molecular Weight
170.40
Description
2-Chloro-5-methylphenylboronic Acid (CAS# 193353-35-4) is a useful research chemical.
Synonyms
(2-chloro-5-methylphenyl)boronic acid; (2-chloro-5-methylphenyl)boronic acid
IUPAC Name
(2-chloro-5-methylphenyl)boronic acid
SMILES
B(C1=C(C=CC(=C1)C)Cl)(O)O
InChI
InChI=1S/C7H8BClO2/c1-5-2-3-7(9)6(4-5)8(10)11/h2-4,10-11H,1H3
InChI Key
JMUXNVYJDBCLPF-UHFFFAOYSA-N
Boiling Point
330.1 °C at 760 mmHg
Flash Point
Not applicable
Density
1.26 g/cm3
LogP
0.32820
Safety Information
Hazards
H302 - H318
Precautionary Statement
P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362
Signal Word
Warning
Computed Properties
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
1
Exact Mass
170.0305874 g/mol
Monoisotopic Mass
170.0305874 g/mol
Topological Polar Surface Area
40.5Ų
Heavy Atom Count
11
Formal Charge
0
Complexity
132
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-2022047230-A1 | Compounds, compositions and methods for histone lysine demethylase inhibition | 2020-08-28 |
| WO-2021163519-A1 | Substituted 5,6-diphenyl-3(2h)-pyridazinones for use as fungicides | 2020-02-14 |
| CN-107513041-A | A kind of preparation method of pyrazines derivatives | 2017-08-22 |
| JP-2018170236-A | Nonaqueous electrolyte for batteries and lithium secondary battery | 2017-03-30 |
| JP-6884020-B2 | Non-aqueous electrolyte for batteries and lithium secondary battery | 2017-03-30 |
| US-10454041-B2 | Materials for organic electroluminescent devices | 2016-02-23 |
| US-2019067576-A1 | Materials for organic electroluminescent devices | 2016-02-23 |
| US-2020006657-A1 | Materials for organic electroluminescent devices | 2016-02-23 |
| US-2019040034-A1 | Materials for electronic devices | 2016-02-05 |
| AU-2016255424-A1 | Benzimidazolone and benzothiazolone compounds and their use as AMPA receptor modulators | 2015-04-29 |
