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Diformylphloroglucinol

CAT: 0572-TRC-D447325-2.5GSize: 2.5 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-D447325-2.5GSize:2.5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
4396-13-8
Synonyms
2,4,6-Trihydroxy-isophthalaldehyde; 2,4,6-Trihydroxy-1,3-benzenedicarboxaldehyde; 2,4-Diformylphloroglucinol; Phloroglucindialdehyde; Phloroglucinoldialdehyde
Hazard Statement
Causes skin irritation.
Smiles
O=CC(C(O)=CC(O)=C1C=O)=C1O
Molecular Formula
C8H6O5
Molecular Weight
182.13
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

2,4-Diformyl phloroglucinol

2,4-diformyl phloroglucinol has been reported in Eucalyptus globulus, Bruguiera exaristata, and Bruguiera sexangula with data available.

CAS Number4396-13-8
PubChem CID11974690
IUPAC Name2,4,6-trihydroxybenzene-1,3-dicarbaldehyde
Molecular FormulaC8H6O5
Molecular Weight182.13
XLogP0.9
Topological Polar Surface Area94.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count13
Formal Charge0
Complexity185
SMILES
C1=C(C(=C(C(=C1O)C=O)O)C=O)O
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
Chemical Structure
2D Structure
2D structure of 2,4-Diformyl phloroglucinol
CAS: 4396-13-8
CID: 11974690
Formula: C8H6O5
MW: 182.13
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight182.13
XLogP30.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass182.02152329
Monoisotopic Mass182.02152329
Topological Polar Surface Area94.8 Ų
Heavy Atom Count13
Formal Charge0
Complexity185
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS5825564Diformylphloroglucinol
HY-W130232RDiformylphloroglucinol (Standard)

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