4-(4H-1,2,4-Triazol-4-yl)phenol

Name: 4-(4H-1,2,4-Triazol-4-yl)phenol
Brand: ChemScene
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CAS No. 98581-86-3
Cat. No. CS-0170187
Purity≥97%
MDL No.MFCD11855617

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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-(4H-1,2,4-Triazol-4-yl)phenol|CS-0170187

Structure of 98581-86-3

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Description

4-(4H-1,2,4-Triazol-4-yl)phenol integrates a robust triazolyl moiety with a phenolic hydroxyl group, enabling versatile coordination in metal complexes and facilitating hydrogen bonding in supramolecular architectures. This bench-stable compound serves as a key scaffold for functional materials and bioactive molecule synthesis.

Application

4-(4H-1,2,4-Triazol-4-yl)phenol serves as a versatile building block in medicinal chemistry, enabling the construction of bioactive heterocyclic scaffolds. The triazolyl group exhibits strong hydrogen-bonding capacity and metabolic stability, while the phenolic hydroxyl facilitates derivatization via etherification or esterification. This compound demonstrates excellent bench stability and compatibility with standard coupling reactions, making it well-suited for modular synthesis workflows in API development.

General Information

CAS No. 98581-86-3
Cat. No. CS-0170187
Purity ≥97%
MDL No. MFCD11855617
Storage 4°C, stored under nitrogen
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₇N₃O
Molecular Weight 161.16
Synonym(s) 4-(4-Hydroxyphenyl)-1,2,4-triazole
SMILES OC1=CC=C(C=C1)N2C=NN=C2

Computational Chemistry Data

TPSA 50.94
LogP 0.9729
H_Acceptors 4
H_Donors 1
Rotatable_Bonds 1

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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Key Words

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4-(4H-1,2,4-Triazol-4-yl)phenol

CAS No. 98581-86-3

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