3-Tolylboronic Acid

Product Information

Molecular Formula:
C7H9O2B
Molecular Weight:
135.96
Description
3-Tolylboronic Acid (CAS# 17933-03-8) is a useful research chemical, a reagent for suzuki coupling reactions.
Synonyms
(3-methylphenyl)boronic acid; (3-methylphenyl)boronic acid
IUPAC Name
(3-methylphenyl)boronic acid
Canonical SMILES
B(C1=CC(=CC=C1)C)(O)O
InChI
InChI=1S/C7H9BO2/c1-6-3-2-4-7(5-6)8(9)10/h2-5,9-10H,1H3
InChI Key
BJQCPCFFYBKRLM-UHFFFAOYSA-N
Boiling Point
290.4 °C at 760 mmHg
Melting Point
160-162 °C (lit.)
Flash Point
Not applicable
Purity
97 %
Density
1.1 g/cm3
LogP
-0.32520

Safety Information

Hazards
H315 - H319 - 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
2
Rotatable Bond Count
1
Exact Mass
136.0695597 g/mol
Monoisotopic Mass
136.0695597 g/mol
Topological Polar Surface Area
40.5Ų
Heavy Atom Count
10
Formal Charge
0
Complexity
106
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-114149298-A Method for preparing biaryl compound from arylboronic acid by using hydrazone catalyst 2021-11-22
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-113861179-A Novel FLT3 kinase inhibitor and synthesis and application thereof 2021-10-22
CN-113731504-A Catalyst and preparation method and application thereof 2021-09-09
CN-113549081-A Organic compound and organic electroluminescent device using same 2021-07-26
CN-113511970-A Synthetic method of aryl-substituted alkyne 2021-06-10
CN-113402412-A (E) Method for synthesizing (beta) -fluoroacrylamide derivative 2021-06-10
CN-113109265-A Bacterial photo-thermal detection reagent, kit and detection method 2021-03-18
CN-112877372-A Process for preparing tertiary alpha-aryl cyclic ketones 2021-02-18

Literatures

PMID Publication Date Title Journal
21319772 2011-03-07 Synthesis of boroxine-linked aluminum complexes Inorganic chemistry
21588247 2010-07-03 1-Methyl-3,5-bis-(3-methyl-phen-yl)benzene 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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