1-Chloro-3-fluoro-5-nitrobenzene

Name: 1-Chloro-3-fluoro-5-nitrobenzene
Brand: ChemScene
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CAS No. 4815-64-9
Cat. No. CS-W007209
Purity≥98%
MDL No.MFCD11973918

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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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1-Chloro-3-fluoro-5-nitrobenzene|CS-W007209

Structure of 4815-64-9

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General Information

CAS No. 4815-64-9
Cat. No. CS-W007209
Purity ≥98%
MDL No. MFCD11973918
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₆H₃ClFNO₂
Molecular Weight 175.54
Synonym(s) 3-Chloro-5-fluoronitrobenzene
SMILES ClC1=CC(F)=CC([N+]([O-])=O)=C1

Description

1-Chloro-3-fluoro-5-nitrobenzene features a trifunctional aromatic core with orthogonal reactivity, enabling sequential transformations in late-stage functionalization. The electron-deficient ring supports efficient nucleophilic substitution, while the fluorine and chlorine sites offer complementary handles for cross-coupling and derivatization under mild conditions. This compound serves as a strategic intermediate in the synthesis of bioactive heterocycles and advanced pharmaceutical scaffolds.

Application

1-Chloro-3-fluoro-5-nitrobenzene serves as a versatile building block in synthetic organic chemistry, enabling efficient construction of complex heterocyclic systems and functionalized aromatic scaffolds. Its orthogonal reactivity profile—combining electrophilic chlorination sites with directing fluorine and nitro groups—facilitates selective metal-catalyzed coupling reactions. The molecule exhibits excellent bench stability and compatibility with standard purification techniques, making it well-suited for iterative synthesis workflows in medicinal chemistry and materials science.

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 2.3873
H_Acceptors 2
H_Donors 0
Rotatable_Bonds 1

Other Classifications

Building Blocks Functional Group Chloride

Building Blocks Functional Group Nitro compounds

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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1-Chloro-3-fluoro-5-nitrobenzene

CAS No. 4815-64-9

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