Skip to the beginning of the images gallery

Benzaldehyde， 2-bromo-3，6-dihydroxy- (9CI) - ≥95%, high purity , CAS No.241127-72-0

COA

Grade & Purity:

≥95%

Cas Number: 241127-72-0
Molecular Weight: 217.03
PubChem CID: 15605970

In stock

Item Number

B728491

Grouped product items
SKU	Size	Availability	Price
B728491-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$926.90
B728491-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,844.90
B728491-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$4,761.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Phenols
    - Subclass 1,4-dihydroxy-2-halobenzenoids

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Phenols
Subclass	1,4-dihydroxy-2-halobenzenoids
Intermediate Tree Nodes	Not available
Direct Parent	1,4-dihydroxy-2-halobenzenoids
Alternative Parents	Hydroxybenzaldehydes O-bromophenols M-bromophenols Hydroquinones Benzoyl derivatives Bromobenzenes 1-hydroxy-2-unsubstituted benzenoids Aryl bromides Vinylogous halides Vinylogous acids Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	1,4-dihydroxy-2-halobenzenoid - Hydroxybenzaldehyde - Benzaldehyde - Benzoyl - 3-halophenol - 2-halophenol - Hydroquinone - 3-bromophenol - 2-bromophenol - 1-hydroxy-2-unsubstituted benzenoid - Aryl-aldehyde - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Vinylogous halide - Vinylogous acid - Organic oxygen compound - Organohalogen compound - Organobromide - Organooxygen compound - Organic oxide - Aldehyde - Hydrocarbon derivative - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as 1,4-dihydroxy-2-halobenzenoids. These are aromatic compounds containing a 1,-2-dihydroxybenzene moiety, which carries an halogen atom at the ring 2-position.
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	2-bromo-3,6-dihydroxybenzaldehyde
INCHI	InChI=1S/C7H5BrO3/c8-7-4(3-9)5(10)1-2-6(7)11/h1-3,10-11H
InChIKey	QYNSPAPDKFXPMC-UHFFFAOYSA-N
Smiles	C1=CC(=C(C(=C1O)C=O)Br)O
Isomeric SMILES	C1=CC(=C(C(=C1O)C=O)Br)O
PubChem CID	15605970
Molecular Weight	217.03

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

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

Analytical Chart:

Chemical and Physical Properties

Melt Point(°C)	137-138°
Molecular Weight	217.020 g/mol
XLogP3	1.900
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	215.942 Da
Monoisotopic Mass	215.942 Da
Topological Polar Surface Area	57.500 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	151.000
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