3-Chlorophenylboronic Acid

Product Information

Molecular Formula:
C6H6ClO2B
Molecular Weight:
156.37
Description
Reactant involved in: 1,4-conjugate addition reactions with ethenesulfonamides to form arylethanesulfonamides; Suzuki-Miyaura reactions with dibromotrifluoromethylbenzene; Cross-coupling reactions with diazoesters or potassium cyanate; Synthesis of biarylketones and phthalides; Synthesis of inhibitors including PDE4 inhibitors among others.
Synonyms
(3-chlorophenyl)boronic acid; (3-chlorophenyl)boronic acid
IUPAC Name
(3-chlorophenyl)boronic acid
Canonical SMILES
B(C1=CC(=CC=C1)Cl)(O)O
InChI
InChI=1S/C6H6BClO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4,9-10H
InChI Key
SDEAGACSNFSZCU-UHFFFAOYSA-N
Boiling Point
311.4 °C at 760 mmHg
Melting Point
185-189 °C (lit.)
Flash Point
Not applicable
Purity
99 %
Density
1.32 ± 0.1 g/mL (predicted)
Appearance
White powder
LogP
0.01980

Safety Information

Hazards
H302 + H312 + H332
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
2
Rotatable Bond Count
1
Exact Mass
156.0149373 g/mol
Monoisotopic Mass
156.0149373 g/mol
Topological Polar Surface Area
40.5Ų
Heavy Atom Count
10
Formal Charge
0
Complexity
110
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-114163381-A Method for synthesizing (2, 6-diphenylpyridine-3, 5-diacyl) bis (benzophenone) and derivatives thereof 2021-12-01
CN-114016060-A Synthetic method of phenolic compound 2021-11-23
KR-102352823-B1 Novel heterocyclic compound and organic light emitting device comprising the same 2021-11-17
CN-113929635-A 1, 6-diphenyl-1H-benzo [ d ] [1,2,3] triazole compound and preparation method and application thereof 2021-11-09
CN-113788846-A Tricyclic thiazolo [5,4-d ] pyrimidone derivative and application thereof 2021-10-27
CN-114075166-A Organic compound, and electronic element and electronic device using same 2021-08-25
KR-102324529-B1 Compound for organic electronic element, organic electronic element using the same, and an electronic device thereof 2021-07-05
CN-114075216-A Organic compound, electronic element, and electronic device 2021-06-23
CN-113511970-A Synthetic method of aryl-substituted alkyne 2021-06-10
CN-113421980-A Organic electroluminescent device and electronic apparatus including the same 2021-06-02

Literatures

PMID Publication Date Title Journal
22090926 2011-08-01 2-(4-Chloro-phen-yl)naphtho-[1,8-de][1,3,2]diaza-borinane Acta crystallographica. Section E, Structure reports online
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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