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
Canonical 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
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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