2,5-Dihydroxybenzaldehyde - ≥98% , CAS No.1194-98-5

CAS: 1194-98-5 Cat. No.: D109443 Molecular Weight: 138.12 Beilstein Registry Number: 1363961 EC Number: 214-789-6

GRADE & PURITY ≥98%

Synonyms

D0565 | H11349 | SCHEMBL36835 | 2,5-Dihydroxybenzaldehyde, Vetec(TM) reagent grade, 98% | CHEBI:28508 | BDBM50478478 | 5-hydroxysalicylaldehyde | AC-12258 | EINECS 214-789-6 | Z586251264 | 4991335E-F710-4A4F-927E-62D82076133E | Gentisinaldehyde | Chlorfib

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

D0565 | H11349 | SCHEMBL36835 | 2, 5-Dihydroxybenzaldehyde, Vetec(TM) reagent grade, 98% | CHEBI:28508 | BDBM50478478 | 5-hydroxysalicylaldehyde | AC-12258 | EINECS 214-789-6 | Z586251264 | 4991335E-F710-4A4F-927E-62D82076133E | Gentisinaldehyde | Chlorfib

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.

Action Type

INHIBITOR

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504754592
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504754592
• Canonical Smiles: C1=CC(=C(C=C1O)C=O)O
• IUPAC Name: 2,5-dihydroxybenzaldehyde
• InChIKey: CLFRCXCBWIQVRN-UHFFFAOYSA-N
• INCHI: 1S/C7H6O3/c8-4-5-3-6(9)1-2-7(5)10/h1-4,9-10H
• Isomeric SMILES: C1=CC(=C(C=C1O)C=O)O
• WGK Germany: 3
• UN Number: 2734
• Molecular Weight: 138.12
• Beilstein: 1363961
• Reaxy-Rn: 1363961
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1363961&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: 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: 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

Associated Targets(Human)

EGFR Tclin Epidermal growth factor receptor erbB1 (33727 Activities)

Discover Target: EGFR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

MPO Tchem Myeloperoxidase (1002 Activities)

Discover Target: MPO

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in water.
• Sensitivity: Air sensitive
• Melt Point(°C): 98-102°C
• Molecular Weight: 138.120 g/mol
• XLogP3: 1.200
• 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: 124.000
• 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. Ke Sun, Zhongquan Zhu, Guowei Li, Yizhi Shao, Heng Xia, Hui Deng, Jianjun Zhang, Jiangang Gao, Gaopeng Shi, Yangyang Xu.  (2025)  Orthogonal polydiacetylene (PDA) derivatives based optical chemsensors for the selective detection of cyanide.  DYES AND PIGMENTS,      [PMID:] [10.1016/j.dyepig.2025.112809]

2. Jialu Zhang, Yu Fu, Peng Chen, Bowen Liu, Cuiling Ren.  (2025)  New silicon nanoparticles for “turn-on” detection of salicylaldehyde in food based on ESIPT mechanism.  FOOD CHEMISTRY,      [PMID:40440837] [10.1016/j.foodchem.2025.144879]

3. Yuan Chen, Ting Yao, Yuetong Mu, Kai Zhao, Kejun Zhong, Rong Yan, Chang He, Pengxiang Jia, Wenyan Zhang.  (2025)  Self-healing and recyclable thermosetting polyurethanes based on dynamic imine and phenol-carbamate bonds.  POLYMER,      [PMID:] [10.1016/j.polymer.2025.129528]