5-Bromo-2-methoxyphenylboronic Acid

Product Information

Molecular Formula:
C7H8BrO3B
Molecular Weight:
230.85
Description
Reactant for: Tweezers-like aromatic molecules with luminescent properties; Suzuki-Miyaura cross-coupling reactions.
Synonyms
(5-bromo-2-methoxyphenyl)boronic acid; (5-bromo-2-methoxyphenyl)boronic acid
IUPAC Name
(5-bromo-2-methoxyphenyl)boronic acid
Canonical SMILES
B(C1=C(C=CC(=C1)Br)OC)(O)O
InChI
InChI=1S/C7H8BBrO3/c1-12-7-3-2-5(9)4-6(7)8(10)11/h2-4,10-11H,1H3
InChI Key
FVRLSHRAYPFXRQ-UHFFFAOYSA-N
Boiling Point
378.4 °C at 760 mmHg
Melting Point
130-135 °C (lit.)
Flash Point
Not applicable
Purity
≥ 95 %
Density
1.61 g/cm3
LogP
0.13750

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
3
Rotatable Bond Count
2
Exact Mass
229.97499 g/mol
Monoisotopic Mass
229.97499 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-111317721-A Nano drug-loaded drug release system, application and preparation method thereof, and preparation method of 2, 6-diphenylpyridine derivative 2020-02-14
CN-110590770-A Triazolopyridine-based organic electroluminescent material and organic electroluminescent device 2019-08-22
CN-110590770-B Triazolopyridine-based organic electroluminescent material and organic electroluminescent device 2019-08-22
WO-2020239999-A1 SMALL MOLECULE INHIBITORS OF NF-kB INDUCING KINASE 2019-05-31
WO-2020243459-A1 Thiadiazolyl derivatives as dna polymerase theta inhibitors 2019-05-31
TW-202110834-A Thiadiazolyl derivatives as dna polymerase theta inhibitors 2019-05-31
US-2021300918-A1 SMALL MOLECULE INHIBITORS OF NF-kB INDUCING KINASE 2019-05-31
AU-2020282005-A1 Small molecule inhibitors of NF-kB inducing kinase 2019-05-31
AU-2020282768-A1 Thiadiazolyl derivatives as DNA Polymerase Theta inhibitors 2019-05-31
CA-3141134-A1 Thiadiazolyl derivatives as dna polymerase theta inhibitors 2019-05-31
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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