2-Chloro-4-fluorophenylboronic acid

Product Information

Molecular Formula:
C6H5BClFO2
Molecular Weight:
174.37
Description
2-Chloro-4-fluorophenylboronic acid (CAS# 313545-72-1) is a useful research chemical.
Synonyms
(2-chloro-4-fluorophenyl)boronic acid; (2-chloro-4-fluorophenyl)boronic acid
IUPAC Name
(2-chloro-4-fluorophenyl)boronic acid
Canonical SMILES
B(C1=C(C=C(C=C1)F)Cl)(O)O
InChI
InChI=1S/C6H5BClFO2/c8-6-3-4(9)1-2-5(6)7(10)11/h1-3,10-11H
InChI Key
XOFNMNLYGPKKOV-UHFFFAOYSA-N
Boiling Point
290.9 °C at 760 mmHg
Melting Point
220-223 °C
Flash Point
Not applicable
Purity
98 %
Density
1.41 g/cm3
Appearance
White crystalline powder
LogP
0.15890

Safety Information

Hazards
H315 - H318 - H335
Precautionary Statement
P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word
Warning

Computed Properties

Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
1
Exact Mass
174.0055154 g/mol
Monoisotopic Mass
174.0055154 g/mol
Topological Polar Surface Area
40.5Ų
Heavy Atom Count
11
Formal Charge
0
Complexity
136
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
CN-113831335-A Pyridine [2,3-d ] pyrimidine-4- (3H) -ketone compound and preparation method and application thereof 2020-06-24
WO-2021252555-A1 Collagen 1 translation inhibitors and methods of use thereof 2020-06-09
WO-2021190615-A1 Compounds as casein kinase inhibitors 2020-03-27
WO-2021163519-A1 Substituted 5,6-diphenyl-3(2h)-pyridazinones for use as fungicides 2020-02-14
US-2021094971-A1 Heterocyclic compounds 2019-09-09
WO-2021048036-A1 4,4a,5,7,8,8a-hexapyrido[4,3-b][1,4]oxazin-3-one compounds as magl inhibitors 2019-09-09
TW-202124392-A New heterocyclic compounds 2019-09-09
WO-2021023813-A1 5-heteroaryl-pyridin-2-amine confounds as neuropeptide ff receptor antagonists 2019-08-06
CN-112110896-A Organic electroluminescent material and application thereof 2019-06-19
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

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