2,3-dihydroxyterephthalaldehyde - ≥97% , CAS No.148063-59-6

CAS: 148063-59-6 Cat. No.: B299923 Formula: C₈H₆O₄ Molecular Weight: 166.13 EC Number: 836-150-6

GRADE & PURITY ≥97%

Synonyms

YSWG035 | 2,3-dihydroxybenzene-1,4-dicarbaldehyde | AKOS027325677 | SCHEMBL17541404 | EN300-84424 | 2,3-Dihydroxyterephthalaldehyde | AS-65740 | 1,4-Benzenedicarboxaldehyde, 2,3-dihydroxy- | C72817 | A925073 | YFA06359 | 1,2-Dihydroxy-3,6-diformylbenzene

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

YSWG035 | 2,3-dihydroxybenzene-1,4-dicarbaldehyde | AKOS027325677 | SCHEMBL17541404 | EN300-84424 | 2,3-Dihydroxyterephthalaldehyde | AS-65740 | 1,4-Benzenedicarboxaldehyde, 2,3-dihydroxy- | C72817 | A925073 | YFA06359 | 1,2-Dihydroxy-3,6-diformylbenzene

Specifications & Purity

≥97%

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 504767877
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504767877
• Canonical Smiles: C1=CC(=C(C(=C1C=O)O)O)C=O
• IUPAC Name: 2,3-dihydroxyterephthalaldehyde
• InChIKey: RDXRJTTYBZXJNE-UHFFFAOYSA-N
• INCHI: 1S/C8H6O4/c9-3-5-1-2-6(4-10)8(12)7(5)11/h1-4,11-12H
• Isomeric SMILES: C1=CC(=C(C(=C1C=O)O)O)C=O
• Molecular Weight: 166.13
• Reaxy-Rn: 8975739
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8975739&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Aldehydes
          • Level6 Aryl-aldehydes
            • Level7 Benzaldehydes
              • Level8 Hydroxybenzaldehydes

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Aldehydes - Aryl-aldehydes - Benzaldehydes
• Direct Parent: Hydroxybenzaldehydes
• Alternative Parents: Catechols Benzoyl derivatives 1-hydroxy-4-unsubstituted benzenoids Vinylogous acids Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Hydroxybenzaldehyde - Catechol - Benzoyl - 1-hydroxy-4-unsubstituted benzenoid - Phenol - Benzenoid - Monocyclic benzene moiety - Vinylogous acid - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as hydroxybenzaldehydes. These are organic aromatic compounds containing a benzene ring carrying an aldehyde group and a hydroxyl group.
• 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

Chemical and Physical Properties

• Sensitivity: Air sensitive
• x_boil_point_char: 265.2±40.0℃ at 760 mmHg
• x_melt_point_char: 150℃
• Molecular Weight: 166.130 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 166.027 Da
• Monoisotopic Mass: 166.027 Da
• Topological Polar Surface Area: 74.600 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 160.000
• 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

References

1. Danni Wang, Quanshou Feng, Yiting Luo, Weimin Wang, Yinghua Yan, Chuan-Fan Ding.  (2023)  Self-assembly of hydrazide-linked porous organic polymers rich in titanium for efficient enrichment of glycopeptides and phosphopeptides from human serum.  ANALYST,  148  (14): (3392-3402).  [PMID:37368458] [10.1039/D3AN00709J]

2. Jiakai Chen, Bing Wang, Yiting Luo, Weimin Wang, Chuan-Fan Ding, Yinghua Yan.  (2023)  Facile preparation of porphyrin-based porous organic polymers for specific enrichment and isolation of phosphopeptides and phosphorylated exosomes.  TALANTA,      [PMID:37311329] [10.1016/j.talanta.2023.124771]

Frequently Asked Questions

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

How should this product be stored?

Store at ?20 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

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

The CAS Number is 148063-59-6, the molecular formula is C8H6O4, and the molecular weight is 166.13 g/mol. InChIKey RDXRJTTYBZXJNE-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.