3-Fluoro-4-iodonitrobenzene

Name: 3-Fluoro-4-iodonitrobenzene
Brand: ChemScene
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CAS No. 2996-30-7
Cat. No. CS-0041295
Purity≥97%
MDL No.MFCD00033987

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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 2996-30-7

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General Information

CAS No. 2996-30-7
Cat. No. CS-0041295
Purity ≥97%
MDL No. MFCD00033987
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₆H₃FINO₂
Molecular Weight 267.00
Synonym(s) Benzene, 2-fluoro-1-iodo-4-nitro-
SMILES IC1=CC=C([N+]([O-])=O)C=C1F

Description

3-Fluoro-4-iodonitrobenzene features a strategically positioned fluorine and iodine substituent on a nitroaromatic scaffold, enabling selective cross-coupling reactions. The electron-deficient ring facilitates efficient palladium-catalyzed transformations, while the bench-stable configuration supports reliable handling in synthetic workflows.

Application

3-Fluoro-4-iodonitrobenzene serves as a versatile building block in cross-coupling chemistry, enabling efficient Suzuki, Stille, and Negishi reactions due to its orthogonal reactivity profile. The fluorine and iodine substituents provide complementary sites for selective functionalization, while the nitro group enhances electrophilicity for subsequent transformations. Its bench-stable nature and compatibility with standard reaction conditions facilitate reliable synthesis of complex aryl architectures.

Synthesis

Route1
- In-stock
  
  5459-50-7
- ~%
- In-stock
  
  2996-30-7
References
- Journal of Organic Chemistry, , vol. 25, p. 996 - 1000
Route2
- 99-09-2
- ~%
- In-stock
  
  2996-30-7
References
- Journal of Organic Chemistry, , vol. 25, p. 996 - 1000

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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Computational Chemistry Data

TPSA 43.14
LogP 2.3385
H_Acceptors 2
H_Donors 0
Rotatable_Bonds 1

Other Classifications

Building Blocks Functional Group Fluoride

Building Blocks Functional Group Nitro compounds

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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3-Fluoro-4-iodonitrobenzene

CAS No. 2996-30-7

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