Skip to the beginning of the images gallery

(3-Bromo-2，5-dimethylphenyl)boronic acid - ≥97%, high purity , CAS No.1259318-83-6

COA

Grade & Purity:

≥97%

Cas Number: 1259318-83-6
Molecular Weight: 228.89
PubChem CID: 44558162

In stock

Item Number

B732116

Grouped product items
SKU	Size	Availability	Price
B732116-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$27.90
B732116-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$102.90
B732116-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$444.90
B732116-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,436.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Xylenes

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Xylenes
Intermediate Tree Nodes	Not available
Direct Parent	p-Xylenes
Alternative Parents	Bromobenzenes Aryl bromides Boronic acids Organic metalloid salts Organometalloid compounds Organobromides Organic oxygen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	P-xylene - Halobenzene - Bromobenzene - Aryl halide - Aryl bromide - Boronic acid - Boronic acid derivative - Organic metalloid salt - Organic oxygen compound - Hydrocarbon derivative - Organobromide - Organic metalloid moeity - Organohalogen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as p-xylenes. These are aromatic compounds that contain a p-xylene moiety, which is a monocyclic benzene carrying exactly two methyl groups at the 1- and 4-positions.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	(3-bromo-2,5-dimethylphenyl)boronic acid
INCHI	InChI=1S/C8H10BBrO2/c1-5-3-7(9(11)12)6(2)8(10)4-5/h3-4,11-12H,1-2H3
InChIKey	URNNEMQNWANJJC-UHFFFAOYSA-N
Smiles	B(C1=CC(=CC(=C1C)Br)C)(O)O
Isomeric SMILES	B(C1=CC(=CC(=C1C)Br)C)(O)O
PubChem CID	44558162
Molecular Weight	228.89

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	228.880 g/mol
XLogP3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	227.996 Da
Monoisotopic Mass	227.996 Da
Topological Polar Surface Area	40.500 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	154.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

Solution Calculators

Molarity Calculator

Determine the necessary mass, volume, or concentration for preparing a solution.

Mass

Concentration

Volume

M. Wt*

g/mol

*When preparing stock solutions, always use the batch-specific molecular weight of the product found on the vial label and the Certificate of Analysis (available online).

Dilution Calculator

Determine the dilution needed to prepare a stock solution.

Concentration 1 (C1)

Volume 1 (V1)

Concentration 2 (C2)

Volume 2 (V2)

Reconstitution Calculator

The reconstitution calculator enables you to quickly determine the volume of a reagent needed to reconstitute your vial. Just enter the mass of the reagent and the target concentration, and the calculator will do the rest.

Volume (to add to vial)

Mass (in vial)

Desired Reconstitution Concentration