3-Bromophenylboronic Acid
Product Information
Molecular Formula
C6H6BrO2B
Molecular Weight
200.83
Description
Reactant involved in a variety of organic reactions including: Oxidative cross coupling; Gold salt catalyzed homocoupling; 1,4-Addition reactions with α,β-unsaturated ketones; Enantioselective addition reactions; Suzuki-Miyaura coupling for synthesis of anthranilamide-protected arylboronic acids; C-H Functionalization of quinones.
Synonyms
(3-bromophenyl)boronic acid; (3-bromophenyl)boronic acid
IUPAC Name
(3-bromophenyl)boronic acid
SMILES
B(C1=CC(=CC=C1)Br)(O)O
InChI
InChI=1S/C6H6BBrO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4,9-10H
InChI Key
AFSSVCNPDKKSRR-UHFFFAOYSA-N
Boiling Point
330.5 °C at 760 mmHg
Melting Point
164-168 °C (lit.)
Flash Point
Not applicable
Purity
99 %
Density
1.67 ± 0.1 g/mL (predict)
Appearance
White powder
LogP
0.12890
Safety Information
Precautionary Statement
P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, 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
199.96442 g/mol
Monoisotopic Mass
199.96442 g/mol
Topological Polar Surface Area
40.5Ų
Heavy Atom Count
10
Formal Charge
0
Complexity
110
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-114106058-A | Preparation method and application of aggregation-induced emission platinum complex | 2021-12-15 |
| CN-113979918-A | C-3-position five-membered spiro indolone derivative containing all-carbon tetra-substituted olefin structure and preparation and application thereof | 2021-11-04 |
| CN-113788846-A | Tricyclic thiazolo [5,4-d ] pyrimidone derivative and application thereof | 2021-10-27 |
| CN-113999208-A | Ionic thermal activation delayed fluorescent material and application thereof in solid-state light-emitting electrochemical cell | 2021-10-25 |
| CN-113860980-A | Method for preparing arylamine compound by photoinduced reduction C-N coupling reaction | 2021-10-11 |
| KR-102324529-B1 | Compound for organic electronic element, organic electronic element using the same, and an electronic device thereof | 2021-07-05 |
| CN-113511970-A | Synthetic method of aryl-substituted alkyne | 2021-06-10 |
| CN-113372323-A | Method for synthesizing camptothecin compound intermediate under microwave and normal pressure | 2021-05-13 |
| CN-113717059-A | Organic compound, electronic element containing organic compound and electronic device | 2021-03-12 |
| CN-112939864-A | Spiro [ benzo [ c ] aza-1, 1' -cyclohexyl ] -3-ones | 2021-01-29 |
