5-Chloro-2-methoxyphenylboronic Acid

Product Information

Molecular Formula:
C7H8ClO3B
Molecular Weight:
186.40
Description
Reactant for: Boron-Heck arylation; Suzuki-Miyaura reaction.
Synonyms
(5-chloro-2-methoxyphenyl)boronic acid; (5-chloro-2-methoxyphenyl)boronic acid
IUPAC Name
(5-chloro-2-methoxyphenyl)boronic acid
Canonical SMILES
B(C1=C(C=CC(=C1)Cl)OC)(O)O
InChI
InChI=1S/C7H8BClO3/c1-12-7-3-2-5(9)4-6(7)8(10)11/h2-4,10-11H,1H3
InChI Key
FMBVAOHFMSQDGT-UHFFFAOYSA-N
Boiling Point
360.2 ℃ at 760 mmHg
Melting Point
134-141 ℃ (lit.)
Density
1.32 g/cm3
Appearance
White powder
LogP
0.02840

Safety Information

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
2
Exact Mass
186.0255020 g/mol
Monoisotopic Mass
186.0255020 g/mol
Topological Polar Surface Area
49.7Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
145
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-113861188-A Pyrazolo [3,4-b ] pyridine derivative, preparation method thereof and application thereof as HPK1 inhibitor 2021-08-23
CN-113683628-A Organic electroluminescent material, electronic element, and electronic device 2021-02-09
CN-111777586-A Preparation method of 10-chlorobenzo [ kl ] xanthene compound 2020-07-29
US-2022048930-A1 Inhibitors of complement factors and uses thereof 2020-07-20
WO-2022020244-A1 Inhibitors of complement factors and uses thereof 2020-07-20
KR-20220010455-A Organic light emitting device 2020-07-17
WO-2022015107-A1 Organic light-emitting device 2020-07-17
WO-2021115335-A1 Compound as cyclin-dependent kinase 9 inhibitor and use thereof 2019-12-09
KR-20210046568-A Organic light emitting device 2019-10-18
WO-2021075895-A1 Organic light-emitting device 2019-10-18

Literatures

PMID Publication Date Title Journal
1198 1975-12-01 An oxygen dependent current in Aplysia neurons: an approach to the question of cellular hypoxic adaptation Comparative biochemistry and physiology. A, Comparative physiology
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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