4-Nitrobenzonitrile

CAS No. 619-72-7
Cat. No. CS-W018191
Purity≥98%
MDL No.MFCD00007279

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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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Description

4-Nitrobenzonitrile features a para-configured nitro group and nitrile moiety on a benzene ring, delivering high electron deficiency for use in nucleophilic aromatic substitution. This bench-stable compound integrates readily into synthetic routes requiring strong electron-withdrawing functionality.

Application

4-Nitrobenzonitrile serves as a versatile building block in synthetic organic chemistry, enabling the construction of functionalized aromatic systems through selective transformations of both nitro and nitrile groups. Its dual electrophilic functionalities facilitate sequential derivatization—such as reduction to amino nitriles or coupling reactions in cross-coupling protocols—while maintaining stability under standard bench conditions. The compound is well-suited for medicinal chemistry applications and API intermediate synthesis due to its predictable reactivity and ease of purification.

General Information

CAS No. 619-72-7
Cat. No. CS-W018191
Purity ≥98%
MDL No. MFCD00007279
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₄N₂O₂
Molecular Weight 148.12
Synonym(s) para-nitrobenzonitrile
SMILES N#CC1=CC=C([N+]([O-])=O)C=C1

Computational Chemistry Data

TPSA 66.93
LogP 1.46648
H_Acceptors 3
H_Donors 0
Rotatable_Bonds 1

Safety Information

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GHS Pictogram :	GHS No : GHS06
Signal Word : Danger	UN#: 3439
Class : 6.1	Packing Group : Ⅱ
Hazard Statements : H300-H311+H331-H402
Precautionary Statements : P261-P264-P270-P271-P273-P280-P302+P352-P304+P340-P330-P361+P364-P405-P501

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Other Classifications

Building Blocks Functional Group Nitro compounds

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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4-Nitrobenzonitrile

CAS No. 619-72-7

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