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
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 |
