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2,5-Dihydroxybenzaldehyde - 98%, high purity , CAS No.1194-98-5
Basic Description
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 Temp
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.
Taxonomic Classification
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.
Associated Targets(Human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
Pubchem Sid
504754592
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504754592
IUPAC Name
2,5-dihydroxybenzaldehyde
INCHI
InChI=1S/C7H6O3/c8-4-5-3-6(9)1-2-7(5)10/h1-4,9-10H
InChIKey
CLFRCXCBWIQVRN-UHFFFAOYSA-N
Smiles
C1=CC(=C(C=C1O)C=O)O
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=
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
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
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