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
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 |
