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Dimethyl 2,5-dihydroxyterephthalate - 98%, high purity , CAS No.5870-37-1

COA

Grade & Purity:

≥98%

Cas Number: 5870-37-1
Molecular Weight: 226.18
EC Number: ‘807-699-9
PubChem CID: 820971
PubChem SID: 504760230

In stock

Item Number

D589576

Grouped product items
SKU	Size	Availability	Price
D589576-1g	1g	3	$29.90
D589576-5g	5g	2	$119.90
D589576-25g	25g	1	$479.90

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Benzene compounds (294)

Basic Description

Synonyms	Dimethyl 2,5-dihydroxybenzene-1,4-dicarboxylate \| 1,4-Benzenedicarboxylic acid, 2,5-dihydroxy-, dimethyl ester \| 1,4-dimethyl 2,5-dihydroxybenzene-1,4-dicarboxylate \| dimethyl 2,5-dihydroxyterephthalate \| SCHEMBL1109633 \| WABMHCVYKWKAAH-UHFFFAOYSA-N \| 587
Specifications & Purity	≥98%
Storage Temp	Protected from light,Argon charged
Shipped In	Normal

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 Phthalate esters
        Level7 p-Phthalate esters

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzoic acids and derivatives
Intermediate Tree Nodes	Phthalic acid and derivatives - Phthalate esters
Direct Parent	p-Phthalate esters
Alternative Parents	P-phthalic acid and derivatives o-Hydroxybenzoic acid esters m-Hydroxybenzoic acid esters Salicylic acid and derivatives Hydroquinones Benzoyl derivatives 1-hydroxy-2-unsubstituted benzenoids Dicarboxylic acids and derivatives Vinylogous acids Methyl esters Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Para-phthalic acid ester - Para_phthalic_acid - M-hydroxybenzoic acid ester - O-hydroxybenzoic acid ester - Dihydroxybenzoic acid - Benzoate ester - Salicylic acid or derivatives - Benzoyl - Hydroquinone - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Dicarboxylic acid or derivatives - Vinylogous acid - Methyl ester - Carboxylic acid ester - Carboxylic acid derivative - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as p-phthalate esters. These are ester derivatives of p-phthalic acids, which are based on a benzene 1,4-dicarboxylic acid skeleton.
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	504760230
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504760230
IUPAC Name	dimethyl 2,5-dihydroxybenzene-1,4-dicarboxylate
INCHI	InChI=1S/C10H10O6/c1-15-9(13)5-3-8(12)6(4-7(5)11)10(14)16-2/h3-4,11-12H,1-2H3
InChIKey	WABMHCVYKWKAAH-UHFFFAOYSA-N
Smiles	COC(=O)C1=CC(=C(C=C1O)C(=O)OC)O
Isomeric SMILES	COC(=O)C1=CC(=C(C=C1O)C(=O)OC)O
Molecular Weight	226.18
Reaxy-Rn	2123931
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2123931&ln=

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

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7 results found

Lot Number	Certificate Type	Date	Item
G2403520	Certificate of Analysis	Jun 22, 2024	D589576
K2301400	Certificate of Analysis	Oct 20, 2023	D589576
K2301399	Certificate of Analysis	Oct 20, 2023	D589576
K2301403	Certificate of Analysis	Oct 20, 2023	D589576
K2301401	Certificate of Analysis	Oct 20, 2023	D589576
K2301404	Certificate of Analysis	Oct 20, 2023	D589576
K2301402	Certificate of Analysis	Oct 20, 2023	D589576

Chemical and Physical Properties

Molecular Weight	226.180 g/mol
XLogP3	2.000
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Exact Mass	226.048 Da
Monoisotopic Mass	226.048 Da
Topological Polar Surface Area	93.100 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	248.000
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

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