Skip to the beginning of the images gallery

2,3-Dihydroxyterephthalic acid - 97%, high purity , CAS No.19829-72-2

COA

Grade & Purity:

≥97%

Cas Number: 19829-72-2
Molecular Weight: 198.13
PubChem CID: 88273

In stock

Item Number

D587962

Grouped product items
SKU	Size	Availability	Price
D587962-1g	1g	3	$24.90
D587962-5g	5g	3	$94.90
D587962-25g	25g	3	$423.90
D587962-100g	100g	1	$1,522.90

Basic Description

Synonyms	SY248314 \| MFCD02181105 \| YSWG248 \| DS-7405 \| EN300-2842026 \| SCHEMBL176255 \| 2,3-Dihydroxyterephthalic acid \| 2,3-DIHYDROXY-TEREPHTHALIC ACID \| 2,3-Dihydroxyterephthalic acid # \| F9S7RAD6FM \| EINECS 243-354-3 \| 1,4-Benzenedicarboxylic acid, 2,3-dihydroxy
Specifications & Purity	≥97%
Storage Temp	Store at 2-8°C,Argon charged
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

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 P-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	P-phthalic acid and derivatives
Alternative Parents	Salicylic acids Benzoic acids Catechols Benzoyl derivatives 1-hydroxy-4-unsubstituted benzenoids Dicarboxylic acids and derivatives Vinylogous acids Carboxylic acids Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Para_phthalic_acid - Salicylic acid - Salicylic acid or derivatives - Hydroxybenzoic acid - Benzoic acid - Benzoyl - Catechol - 1-hydroxy-4-unsubstituted benzenoid - Phenol - Dicarboxylic acid or derivatives - Vinylogous acid - Carboxylic acid - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as p-phthalic acid and derivatives. These are compounds containing a benzene ring bearing a carboxylic acid group at ring carbon atoms 1 and 4.
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

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

IUPAC Name	2,3-dihydroxyterephthalic acid
INCHI	InChI=1S/C8H6O6/c9-5-3(7(11)12)1-2-4(6(5)10)8(13)14/h1-2,9-10H,(H,11,12)(H,13,14)
InChIKey	OHLSHRJUBRUKAN-UHFFFAOYSA-N
Smiles	C1=CC(=C(C(=C1C(=O)O)O)O)C(=O)O
Isomeric SMILES	C1=CC(=C(C(=C1C(=O)O)O)O)C(=O)O
Molecular Weight	198.13
Reaxy-Rn	2696051
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2696051&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.

7 results found

Lot Number	Certificate Type	Date	Item
I2321270	Certificate of Analysis	Sep 04, 2023	D587962
I2321271	Certificate of Analysis	Sep 04, 2023	D587962
I2321272	Certificate of Analysis	Sep 04, 2023	D587962
H2331409	Certificate of Analysis	Aug 17, 2023	D587962
H2331419	Certificate of Analysis	Aug 17, 2023	D587962
H2331484	Certificate of Analysis	Aug 17, 2023	D587962
H2331418	Certificate of Analysis	Aug 17, 2023	D587962

Chemical and Physical Properties

Molecular Weight	198.130 g/mol
XLogP3	1.500
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Exact Mass	198.016 Da
Monoisotopic Mass	198.016 Da
Topological Polar Surface Area	115.000 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	224.000
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