4,4'-(Anthracene-9,10-diyl)dibenzoic acid

Name: 4,4'-(Anthracene-9,10-diyl)dibenzoic acid
Brand: ChemScene
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CAS No. 42824-53-3
Cat. No. CS-0110931
Purity≥98%
MDL No.MFCD07644571

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
Inaccessible (Haz class 6.1 or 9), Domestic	$68.00+
Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
Accessible (Haz class 3, 4, 5 or 8), International	$238.00+

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4,4'-(Anthracene-9,10-diyl)dibenzoic acid|CS-0110931

Structure of 42824-53-3

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General Information

CAS No. 42824-53-3
Cat. No. CS-0110931
Purity ≥98%
MDL No. MFCD07644571
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₂₈H₁₈O₄
Molecular Weight 418.45
Synonym(s) 9,10-Di(p-carboxyphenyl)anthracene
SMILES O=C(O)C=1C=CC(=CC1)C2=C3C=CC=CC3=C(C4=CC=C(C=C4)C(=O)O)C=5C=CC=CC52

Description

This anthracene-based diacid features a rigid, planar core enabling strong π-stacking interactions. Functionalized with two carboxylic acid groups at the 4,4′-positions, it serves as a modular building block for conjugated polymers and metal-organic frameworks. The extended aromatic system enhances charge transport properties while maintaining solubility in common organic solvents.

Application

4,4'-(Anthracene-9,10-diyl)dibenzoic acid serves as a versatile building block for conjugated materials and functionalized polyaromatic systems. Its rigid anthracene core with flanking carboxylic acid groups enables efficient coupling in esterification, amide formation, and metal coordination reactions. The molecule exhibits excellent bench stability and facilitates purification via recrystallization, making it well-suited for synthetic applications in organic electronics and supramolecular chemistry.

Safety Information

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GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

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Computational Chemistry Data

TPSA 74.6
LogP 6.7234
H_Acceptors 2
H_Donors 2
Rotatable_Bonds 4

Other Classifications

Material Science Solar Cell Materials Receptor Intermediate AI

Material Science Organic-Inorganic Hybrid Materials Metal Organic Frameworks (MOF) Raw Materials Organic Linker Molecules

Material Science Polymer/Macromolecule Reagents Metal Organic Frameworks (MOF) Raw Materials Organic Linker Molecules

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4,4'-(Anthracene-9,10-diyl)dibenzoic acid

CAS No. 42824-53-3

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