2-Nitrobenzonitrile

Name: 2-Nitrobenzonitrile
Brand: ChemScene
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CAS No. 612-24-8
Cat. No. CS-W016340
Purity≥98%
MDL No.MFCD00007044

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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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Description

2-Nitrobenzonitrile features a dual functional group array with a nitro group ortho to a nitrile moiety, enabling strategic integration into cross-coupling and electrophilic substitution cascades. This electron-deficient aromatic scaffold supports efficient derivatization under mild conditions, delivering high-yielding access to complex heterocyclic systems in synthetic methodology development.

Application

2-Nitrobenzonitrile serves as a versatile building block in synthetic organic chemistry, enabling efficient access to substituted benzimidazoles and other heterocyclic scaffolds via cyclization protocols. Its dual electron-withdrawing functionality—nitro and cyano groups—facilitates nucleophilic aromatic substitution and directs regioselective functionalization. The compound exhibits excellent bench stability and is readily purified by recrystallization, making it well-suited for large-scale synthesis and process development in medicinal chemistry workflows.

General Information

CAS No. 612-24-8
Cat. No. CS-W016340
Purity ≥98%
MDL No. MFCD00007044
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₄N₂O₂
Molecular Weight 148.12
Synonym(s) o-Nitrobenzonitrile; 2-Nitrobenzonitrile
SMILES N#CC1=CC=CC=C1[N+]([O-])=O

Computational Chemistry Data

TPSA 66.93
LogP 1.46648
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+H332
Precautionary Statements : P261-P264-P270-P271-P304+P340-P330-P501

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Other Classifications

Building Blocks Functional Group Nitro compounds

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

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2-Nitrobenzonitrile

CAS No. 612-24-8

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