2,4-Dichlorobenzene-1,3,5-triol

Name: 2,4-Dichlorobenzene-1,3,5-triol
Brand: ChemScene
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CAS No. 101328-98-7
Cat. No. CS-0116809
Molecule weight195.00
Purity≥96%
MDL No.MFCD23700877

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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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2,4-Dichlorobenzene-1,3,5-triol|CS-0116809

Structure of 101328-98-7

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General Information

CAS No. 101328-98-7
Cat. No. CS-0116809
Purity ≥96%
MDL No. MFCD23700877
Storage 4°C, stored under nitrogen
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₆H₄Cl₂O₃
Molecular Weight 195.00
Synonym(s) 2,4-Dichloro-benzene-1,3,5-triol
SMILES OC1=CC(O)=C(Cl)C(O)=C1Cl

Description

2,4-Dichlorobenzene-1,3,5-triol features three hydroxyl groups positioned at the 1, 3, and 5 ring sites of a dichlorinated benzene scaffold. This arrangement imparts strong hydrogen-bonding capacity and enhanced solubility in polar media. The electron-withdrawing chlorine substituents modulate reactivity, favoring nucleophilic substitution at specific positions. The compound serves as a robust building block for functionalized aromatic systems in medicinal chemistry and materials science.

Application

2,4-Dichlorobenzene-1,3,5-triol serves as a versatile building block for heterocyclic synthesis, enabling efficient access to substituted triazines and oxadiazoles via nucleophilic aromatic substitution. Its three phenolic hydroxyl groups exhibit high reactivity in coupling and cyclization reactions, while the dichloro substituents provide orthogonal handles for sequential functionalization. The compound demonstrates excellent bench stability and facilitates straightforward purification, making it well-suited for iterative synthesis in medicinal chemistry and materials science applications.

Safety Information

Download SDS

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

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Computational Chemistry Data

TPSA 60.69
LogP 2.1102
H_Acceptors 3
H_Donors 3
Rotatable_Bonds 0

Other Classifications

Building Blocks Functional Group Chloride

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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2,4-Dichlorobenzene-1,3,5-triol

CAS No. 101328-98-7

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