1,10-Phenanthroline-4-carboxylic acid

Name: 1,10-Phenanthroline-4-carboxylic acid
Brand: ChemScene
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CAS No. 31301-27-6
Cat. No. CS-W004572
Molecule weight224.22
Purity≥98%
MDL No.MFCD19441392

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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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1,10-Phenanthroline-4-carboxylic acid|CS-W004572

Structure of 31301-27-6

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General Information

CAS No. 31301-27-6
Cat. No. CS-W004572
Purity ≥98%
MDL No. MFCD19441392
Storage 4°C, protect from light, stored under nitrogen
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₃H₈N₂O₂
Molecular Weight 224.22
Synonym(s) None
SMILES O=C(O)C1=CC=NC=2C3=NC=CC=C3C=CC21

Description

1,10-Phenanthroline-4-carboxylic acid combines a rigid aromatic scaffold with a carboxylic acid group, enabling strong metal chelation and enhanced solubility. This bifunctional ligand integrates readily into coordination networks and facilitates downstream derivatization through the carboxylate moiety. The para-positioned acid functionalizes the phenanthroline ring without disrupting its planar geometry or metal-binding affinity.

Application

1,10-Phenanthroline-4-carboxylic acid serves as a versatile bifunctional ligand in transition metal catalysis, combining the strong chelating ability of phenanthroline with the synthetic handle of a carboxylic acid. It facilitates coordination to metals such as copper and iron, enabling applications in cross-coupling and oxidation reactions. The carboxylic acid group supports derivatization, solubility modulation, and immobilization on solid supports, enhancing utility in catalyst design and surface functionalization.

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

TPSA 63.08
LogP 2.4812
H_Acceptors 3
H_Donors 1
Rotatable_Bonds 1

Other Classifications

Catalysts and Ligands Ligands Pyridine Ligands Phenanthroline Ligands

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

Catalysis Nitrogen-Donor Ligands Pyridine Ligands

Catalysis Nitrogen-Donor Ligands Phenanthroline Ligands

Key Words

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1,10-Phenanthroline-4-carboxylic acid

CAS No. 31301-27-6

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