3-Bromo-5-nitrobenzonitrile

Name: 3-Bromo-5-nitrobenzonitrile
Brand: ChemScene
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CAS No. 49674-15-9
Cat. No. CS-0060188
Purity≥97%
MDL No.MFCD00463804

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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+

An item is classified as a dangerous good if our website displays Hazardous Material (HazMat) information for it.

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Structure of 49674-15-9

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Description

3-Bromo-5-nitrobenzonitrile features a bromine atom and a nitro group flanking a nitrile-bearing benzene ring, enabling sequential functionalization in cross-coupling and nucleophilic substitution reactions. This electron-deficient scaffold integrates readily into complex molecular architectures under standard conditions.

Application

3-Bromo-5-nitrobenzonitrile serves as a versatile building block in synthetic organic chemistry, enabling palladium-catalyzed cross-coupling reactions due to its compatible bromo and nitrile functionalities. The nitro group enhances electrophilicity for nucleophilic substitution, while the molecule exhibits good bench stability and ease of purification, facilitating integration into multi-step syntheses of heterocyclic scaffolds and functionalized aromatic compounds.

General Information

CAS No. 49674-15-9
Cat. No. CS-0060188
Purity ≥97%
MDL No. MFCD00463804
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₃BrN₂O₂
Molecular Weight 227.01
Synonym(s) 1-Bromo-3-cyano-5-nitrobenzene
SMILES N#CC1=CC([N+]([O-])=O)=CC(Br)=C1

Computational Chemistry Data

TPSA 66.93
LogP 2.22898
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

Quality Control

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Other Classifications

Building Blocks Functional Group Nitro compounds

Building Blocks Functional Group Bromide

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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3-Bromo-5-nitrobenzonitrile

CAS No. 49674-15-9

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