4-Chloro-3-fluorophenylboronic acid

Product Information

Molecular Formula:
C6H5BClFO2
Molecular Weight:
174.37
Description
4-Chloro-3-fluorophenylboronic acid (CAS# 137504-86-0) is a useful synthetic compound.
Synonyms
(4-chloro-3-fluorophenyl)boronic acid; (4-chloro-3-fluorophenyl)boronic acid
IUPAC Name
(4-chloro-3-fluorophenyl)boronic acid
Canonical SMILES
B(C1=CC(=C(C=C1)Cl)F)(O)O
InChI
InChI=1S/C6H5BClFO2/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,10-11H
InChI Key
CMJQIHGBUKZEHP-UHFFFAOYSA-N
Boiling Point
302.6 °C at 760 mmHg
Flash Point
Not applicable
Purity
97 %
Density
1.41 g/cm3
Storage
Keep in dark place, Sealed in dry, Room Temperature
LogP
0.15890

Safety Information

Hazards
H315 - H318 - H335
Precautionary Statement
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, 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
CN-111559990-A Micromolecular oxathiazine derivative and application thereof 2020-05-29
CN-111559990-B Micromolecular oxathiazine derivative and application thereof 2020-05-29
WO-2021238587-A1 Micromolecular oxathiazine derivative and use thereof 2020-05-29
WO-2021203025-A1 1 h-pyrazolo[4,3-g]isoquinoline and 1 h-pyrazolo[4,3-g]quinoline derivatives as alpha-1 -antitrypsin modulators for treating alpha-1 -antitrypsin deficiency (aatd) 2020-04-03
WO-2021194326-A1 Aminopyrimidine derivatives and their use as aryl hydrocarbon receptor modulators 2020-03-27
CN-111253210-A Preparation method of 4 '-alkyl-2, 4,3' -trifluoro-terphenyl liquid crystal monomer 2020-03-05
WO-2021173523-A1 Hot melt extruded solid dispersions containing a bcl2 inhibitor 2020-02-24
WO-2021130732-A1 Antibacterial quinolines 2019-12-27
US-2021171455-A1 Alpha-5 beta-1 inhibitors 2019-12-10
WO-2021119199-A1 Alpha-5 beta-1 inhibitors 2019-12-10
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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