2-Acetylbenzonitrile

Name: 2-Acetylbenzonitrile
Brand: ChemScene
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CAS No. 91054-33-0
Cat. No. CS-W005120
Purity≥98%
MDL No.MFCD00272571

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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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Structure of 91054-33-0

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Description

2-Acetylbenzonitrile features a fused aromatic system bearing both acetyl and nitrile functionalities, enabling direct integration into heterocyclic synthesis. The ortho-positioned electron-withdrawing nitrile group enhances reactivity at the carbonyl center, facilitating nucleophilic addition under mild conditions. This compound serves as a key intermediate in the development of pharmaceuticals and functional materials.

Application

2-Acetylbenzonitrile serves as a versatile building block in synthetic organic chemistry, enabling efficient access to substituted benzimidazoles and heterocyclic scaffolds via condensation reactions. Its dual functionality—readily participating in nucleophilic additions and electrophilic substitutions—supports diverse transformations under mild conditions. The molecule exhibits good bench stability and facilitates straightforward purification, making it well-suited for iterative synthesis workflows in medicinal chemistry and process development.

General Information

CAS No. 91054-33-0
Cat. No. CS-W005120
Purity ≥98%
MDL No. MFCD00272571
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₉H₇NO
Molecular Weight 145.16
Synonym(s) 2-Acetylbenzenecarbonitrile
SMILES C1=CC=CC(=C1C#N)C(C)=O

Computational Chemistry Data

TPSA 40.86
LogP 1.76088
H_Acceptors 2
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 Functional Group Ketone

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

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2-Acetylbenzonitrile

CAS No. 91054-33-0

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