3,5-Dihydroxybenzaldehyde - ≥98% , CAS No.26153-38-8

CAS: 26153-38-8 Cat. No.: D120469 Molecular Weight: 138.12 Beilstein Registry Number: 1930147 EC Number: 247-479-4

GRADE & PURITY ≥98%

Synonyms

AM20120664 | AS-32854 | AKOS005258327 | 3,5-dihydroxy benzaldehyde | SCHEMBL37131 | BBL101356 | PD131130 | EINECS 247-479-4 | InChI=1/C7H6O3/c8-4-5-1-6(9)3-7(10)2-5/h1-4,9-10 | STL555152 | MFCD00016611 | W-107196 | Q27121981 | DTXSID60180776 | A20612 | .a

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Overview

3,5-Dihydroxybenzaldehyde is suitable for use in the synthesis of 3,5-dihydroxyphenylglycine (3,5-DHPG). It may be used in the synthesis of: fulgide7 3,5-bis(undeca-4,6-diynyloxy)benzaldehyde 3,5-didodecyloxybenzaldehyde 1′-methyl-1′,5′-dihydro-2′-(3,5-bis(undeca-4,6-diynyloxy)phenyl)-1H-pyrrolo[3′,4′:1,9](C60-Ih)[5,6]fullerene (F2D)

Specifications

Synonyms

AM20120664 | AS-32854 | AKOS005258327 | 3, 5-dihydroxy benzaldehyde | SCHEMBL37131 | BBL101356 | PD131130 | EINECS 247-479-4 | InChI=1/C7H6O3/c8-4-5-1-6(9)3-7(10)2-5/h1-4, 9-10 | STL555152 | MFCD00016611 | W-107196 | Q27121981 | DTXSID60180776 | A20612 | .a

Specifications & Purity

≥98%

Storage

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.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504756215
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504756215
• Canonical Smiles: C1=C(C=C(C=C1O)O)C=O
• IUPAC Name: 3,5-dihydroxybenzaldehyde
• InChIKey: HAQLHRYUDBKTJG-UHFFFAOYSA-N
• INCHI: 1S/C7H6O3/c8-4-5-1-6(9)3-7(10)2-5/h1-4,9-10H
• Isomeric SMILES: C1=C(C=C(C=C1O)O)C=O
• WGK Germany: 3
• Molecular Weight: 138.12
• Beilstein: 1930147
• Reaxy-Rn: 1930147
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1930147&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: Resorcinols Benzoyl derivatives 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Hydroxybenzaldehyde - Resorcinol - Benzoyl - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Benzenoid - Monocyclic benzene moiety - 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: dihydroxybenzaldehyde

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

• Solubility: Soluble in ethanol and diethyl ether.
• Sensitivity: Air Sensitive
• Melt Point(°C): 158-161°C
• Molecular Weight: 138.120 g/mol
• XLogP3: 0.700
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 138.032 Da
• Monoisotopic Mass: 138.032 Da
• Topological Polar Surface Area: 57.500 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 114.000
• 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. Xuesong Gu, Shubo Xie, Qiang Chen, Shufeng Chen, Haiying Zhao, Zhanxi Bian.  (2018)  Anti-migration and burning rate catalytic performances of novel ferrocene-based porphyrins and their transition-metal complexes.  NEW JOURNAL OF CHEMISTRY,  42  (16): (13319-13328).  [PMID:] [10.1039/C8NJ02376J]

2. Rongbin Huang, Lei Xiang, Ying Liu, Xiangping Deng, Xuan Cao, Lanfang Li, Cuiyun Yu, Yanming Chen, Guotao Tang.  (2016)  Synthesis and in vitro evaluation of pH-sensitive PEG-I-dC16 block polymer micelles for anticancer drug delivery.  JOURNAL OF PHARMACY AND PHARMACOLOGY,  68  (6): (751-761).  [PMID:27018539] [10.1111/jphp.12545]