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

CAS: 5870-37-1 Cat. No.: D589576 Summenformel: C₁₀H₁₀O₆ Molekulargewicht: 226.18 EG-Nummer: 807-699-9

GRADE & PURITY ≥98%

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

Storage

Protected from light,Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyme

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

Spezifikationen & Reinheit

≥98%

Storage

Protected from light,Argon charged,Room temperature

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

504760230

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504760230

Kanonisches Lächeln

COC(=O)C1=CC(=C(C=C1O)C(=O)OC)O

IUPAC Name

dimethyl 2,5-dihydroxybenzene-1,4-dicarboxylate

InChIKey

WABMHCVYKWKAAH-UHFFFAOYSA-N

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

Isomere SMILES

COC(=O)C1=CC(=C(C=C1O)C(=O)OC)O

Molekulargewicht

226.18

Reaxy-Rn

2123931

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2123931&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives
        • Ebene5 Phthalic acid and derivatives
          • Ebene6 Phthalate esters
            • Ebene7 p-Phthalate esters

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: 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
• Beschreibung: 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

Data sources

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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 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 Ų
• 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

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature, protected from light, under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 5870-37-1, the molecular formula is C10H10O6, and the molecular weight is 226.18 g/mol. InChIKey WABMHCVYKWKAAH-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.