2,5-Dihydroxyterephthalaldehyde(DHTA) - ≥97% , CAS No.1951-36-6

CAS: 1951-36-6 Cat. No.: B300119 Formule: C₈H₆O₄ Poids moléculaire: 166.13 Numéro CE: 815-743-3

GRADE & PURITY ≥97%

Synonyms

MFCD22055335 | 2.5- Dihydroxyterephthalaldehyd | AB93036 | DTXSID90454578 | BAA95136 | EN300-315688 | 2,5-dihydroxy-1,4-benzenedicarboxaldehyde | 2,5-dihydroxybenzene-1,4-dicarboaldehyde | YSWG261 | AKOS022637113 | 2,5-dihydroxybenzene-1,4-dicarbaldehyde

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonymes

MFCD22055335 | 2.5- Dihydroxyterephthalaldehyd | AB93036 | DTXSID90454578 | BAA95136 | EN300-315688 | 2,5-dihydroxy-1,4-benzenedicarboxaldehyde | 2,5-dihydroxybenzene-1,4-dicarboaldehyde | YSWG261 | AKOS022637113 | 2,5-dihydroxybenzene-1,4-dicarbaldehyde

Spécifications et pureté

≥97%

Conditions de stockage de stockage

Store at 2-8°C,Argon charged

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥97%

Noms et identifiants

Pubchem Sid

488197143

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488197143

Sourires canoniques

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

IUPAC Name

2,5-dihydroxyterephthalaldehyde

InChIKey

PIWMYUGNZBJTID-UHFFFAOYSA-N

INCHI

1S/C8H6O4/c9-3-5-1-7(11)6(4-10)2-8(5)12/h1-4,11-12H

Isomères SMILES

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

Poids moléculaire

166.13

Reaxy-Rn

2090418

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2090418&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Aldehydes - Aryl-aldehydes - Benzaldehydes
• Direct Parent: Hydroxybenzaldehydes
• Alternative Parents: Hydroquinones Benzoyl derivatives 1-hydroxy-2-unsubstituted benzenoids Vinylogous acids Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Hydroxybenzaldehyde - Hydroquinone - Benzoyl - 1-hydroxy-2-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

Propriétés chimiques et physiques

• Sensibilité: air sensitive
• Poids moléculaire: 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

Foire aux 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 should this product be stored?

Store at 2–8 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 1951-36-6, the molecular formula is C8H6O4, and the molecular weight is 166.13 g/mol. InChIKey PIWMYUGNZBJTID-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.