1-Phenylpyrazole-4-carbonitrile

Name: 1-Phenylpyrazole-4-carbonitrile
Brand: ChemScene
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CAS No. 709-04-6
Cat. No. CS-0060552
Purity≥97%
MDL No.None

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
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Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
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1-Phenylpyrazole-4-carbonitrile|CS-0060552

Structure of 709-04-6

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Description

1-Phenylpyrazole-4-carbonitrile features a conjugated pyrazole core bearing a phenyl group at the 1-position and a nitrile substituent at the 4-position, delivering enhanced electronic delocalization and synthetic versatility. This scaffold integrates readily into heterocyclic architectures, offering robust stability under standard conditions and compatibility with transition-metal-catalyzed coupling processes.

Application

1-Phenylpyrazole-4-carbonitrile serves as a versatile building block in heterocyclic synthesis, enabling efficient access to pyrazole-based scaffolds through nucleophilic addition and cycloaddition reactions. The nitrile group provides a handle for functionalization via hydrolysis or reduction, while the phenyl substituent enhances stability and modulates reactivity. Its bench-stable nature and compatibility with standard coupling protocols make it well-suited for medicinal chemistry and process development workflows.

General Information

CAS No. 709-04-6
Cat. No. CS-0060552
Purity ≥97%
MDL No. None
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₀H₇N₃
Molecular Weight 169.18
Synonym(s) 1-phenyl-1H-pyrazole-4-carbonitrile
SMILES C1=CC=C(C=C1)N2C=C(C#N)C=N2

Computational Chemistry Data

TPSA 41.61
LogP 1.74398
H_Acceptors 3
H_Donors 0
Rotatable_Bonds 1

Safety Information

Download SDS

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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Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Pyrazole compounds

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

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1-Phenylpyrazole-4-carbonitrile

CAS No. 709-04-6

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