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2，4，6-Trihydroxyisophthalaldehyde - ≥97%, high purity , CAS No.4396-13-8

COA

Grade & Purity:

≥97%

Cas Number: 4396-13-8
Molecular Weight: 182.13
PubChem CID: 11974690

In stock

Item Number

T726400

Grouped product items
SKU	Size	Availability	Price
T726400-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$108.90
T726400-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$166.90
T726400-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$416.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Phenols
    - Subclass Benzenetriols and derivatives
      - Level5 Phloroglucinols and derivatives
        Level6 Acylphloroglucinols and derivatives

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Phenols
Subclass	Benzenetriols and derivatives
Intermediate Tree Nodes	Phloroglucinols and derivatives
Direct Parent	Acylphloroglucinols and derivatives
Alternative Parents	Hydroxybenzaldehydes Benzoyl derivatives 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Vinylogous acids Polyols Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Acylphloroglucinol derivative - Hydroxybenzaldehyde - Benzaldehyde - Benzoyl - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Aryl-aldehyde - Monocyclic benzene moiety - Vinylogous acid - Polyol - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Aldehyde - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as acylphloroglucinols and derivatives. These are phloroglucinol derivatives characterized by the presence of a COR group.
External Descriptors	Not available
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

Names and Identifiers

IUPAC Name	2,4,6-trihydroxybenzene-1,3-dicarbaldehyde
INCHI	InChI=1S/C8H6O5/c9-2-4-6(11)1-7(12)5(3-10)8(4)13/h1-3,11-13H
InChIKey	XMOLQZRXGOOMRJ-UHFFFAOYSA-N
Smiles	C1=C(C(=C(C(=C1O)C=O)O)C=O)O
Isomeric SMILES	C1=C(C(=C(C(=C1O)C=O)O)C=O)O
PubChem CID	11974690
Molecular Weight	182.13

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	182.130 g/mol
XLogP3	0.900
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	182.022 Da
Monoisotopic Mass	182.022 Da
Topological Polar Surface Area	94.800 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	185.000
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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