ChemicalBook--->CAS DataBase List--->4396-13-8

4396-13-8

4396-13-8 Structure

4396-13-8 Structure
IdentificationBack Directory
[Name]

2,4,6-trihydroxyisophthalaldehyde
[CAS]

4396-13-8
[Synonyms]

Diformylphloroglucinol
Phloroglucinol Diformyl
Penicillamine Impurity 16
2,4-diforMyl phloroglucinol
2,4,6-trihydroxyisophthalaldehyde
2,4,6-Trihydroxy-3-formylbenzaldehyde
1,3-Benzenedicarboxaldehyde, 2,4,6-trihydroxy-
[Molecular Formula]

C8H6O5
[MDL Number]

MFCD24674149
[MOL File]

4396-13-8.mol
[Molecular Weight]

182.13
Chemical PropertiesBack Directory
[Melting point ]

>129oC (dec.)
[storage temp. ]

-20°C Freezer
[solubility ]

DMSO (Slightly), Methanol (Slightly)
[form ]

Solid
[color ]

Light Pink to Orange
[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=O)=C(O)C=C(O)C(C=O)=C1O
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H312-H332
[Precautionary statements ]

P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P330-P362-P403+P233-P501
Hazard InformationBack Directory
[Uses]

Diformylphloroglucinol is an impurity in the synthesis of Hirsutidin Chloride (H356800), which is an anthocyanidin found in the Madagascar Periwinkle (Catharanthus Roseus). Hirsutidin Chloride can be used in the preparation of plant based compounds to lower LDL cholesterol.
Spectrum DetailBack Directory
[Spectrum Detail]

2,4,6-trihydroxyisophthalaldehyde(4396-13-8)1HNMR
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