Basic Description

Synonyms	SY048475 \| 4-bromo-1,3-benzenedicarboxylic acid \| SCHEMBL70653 \| 4-bromobenzene-1,3-dicarboxylic acid \| PS-4840 \| 4-Bromoisophthalicacid \| 4-methylsulphonylphenol \| Benzo(b)thiophene, 3-bromo- \| EN300-124683 \| Tetra(10B)boron carbide \| EINECS 230-078-3 \|
Specifications & Purity	≥96%
Shipped In	Normal
Product Description	application： 4-Bromoisophthalic Acid is an inhibitor of glutamate decarboxylase.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Benzoic acids and derivatives
      - Level5 Phthalic acid and derivatives
        Level6 M-phthalic acid and derivatives

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzoic acids and derivatives
Intermediate Tree Nodes	Phthalic acid and derivatives
Direct Parent	M-phthalic acid and derivatives
Alternative Parents	Halobenzoic acids 4-halobenzoic acids 2-halobenzoic acids Benzoic acids Benzoyl derivatives 1-carboxy-2-haloaromatic compounds Bromobenzenes Dicarboxylic acids and derivatives Aryl bromides Vinylogous halides Organooxygen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Meta_phthalic_acid - Halobenzoic acid - 4-halobenzoic acid - 2-halobenzoic acid - Halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Benzoic acid - 1-carboxy-2-haloaromatic compound - Benzoyl - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Dicarboxylic acid or derivatives - Vinylogous halide - Carboxylic acid derivative - Carboxylic acid - Organobromide - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as m-phthalic acid and derivatives. These are aromatic compounds containing a benzene ring bearing a carboxylic acid group at ring carbon atoms 1 and 2.
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

Pubchem Sid	504755522
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504755522
IUPAC Name	4-bromobenzene-1,3-dicarboxylic acid
INCHI	InChI=1S/C8H5BrO4/c9-6-2-1-4(7(10)11)3-5(6)8(12)13/h1-3H,(H,10,11)(H,12,13)
InChIKey	MSQIEZXCNYUWHN-UHFFFAOYSA-N
Smiles	C1=CC(=C(C=C1C(=O)O)C(=O)O)Br
Isomeric SMILES	C1=CC(=C(C=C1C(=O)O)C(=O)O)Br
WGK Germany	3
Molecular Weight	245.03
Beilstein	9838
Reaxy-Rn	1959392
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1959392&ln=

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

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

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

8 results found

Lot Number	Certificate Type	Date	Item
E2431277	Certificate of Analysis	Mar 21, 2024	B113780
E2431297	Certificate of Analysis	Mar 21, 2024	B113780
L2403163	Certificate of Analysis	Jun 13, 2023	B113780
I2113043	Certificate of Analysis	Jun 13, 2023	B113780
I2113041	Certificate of Analysis	Jun 13, 2023	B113780
I2113042	Certificate of Analysis	Jun 13, 2023	B113780
I2113044	Certificate of Analysis	Jun 13, 2023	B113780
C1603003	Certificate of Analysis	Jun 05, 2023	B113780

Chemical and Physical Properties

Solubility	Soluble in methanol
Melt Point(°C)	297-299°C
Molecular Weight	245.030 g/mol
XLogP3	1.700
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	243.937 Da
Monoisotopic Mass	243.937 Da
Topological Polar Surface Area	74.600 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	228.000
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

Citations of This Product

How to Cite Aladdin Scientific Products?

1. Dong-Mei Ma, Xian Yu, Aishun Ding, Hao Guo, Dong-Jin Qian. (2021) Interfacial self-assembled thioxathone monolayers on the surfaces of silica nanoparticles as efficient heterogeneous photocatalysts for the selective oxidation of aromatic thioethers under air atmosphere. COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS, 611 (125856).
2. Yan Li, Deyun Ma, Chanchan Chen, Minchun Chen, Zhanhong Li, Yetao Wu, Shanshan Zhu, Guo Peng. (2019) A hydrostable and bromine-functionalized manganese-organic framework with luminescence sensing of Hg2+ and antiferromagnetic properties. JOURNAL OF SOLID STATE CHEMISTRY, 269 (257).

Solution Calculators

Molarity Calculator

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

Mass

=

Concentration

x

Volume

x

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)

x

Volume 1 (V1)

=

Concentration 2 (C2)

x

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

SKU	Size	Availability	Price
B113780-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$15.90
B113780-5g	5g	3	$61.90
B113780-10g	10g	2	$94.90
B113780-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$198.90
B113780-100g	100g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$714.90

4-Bromoisophthalic acid - 96%, high purity , CAS No.6939-93-1