2-Chloro-6-fluoronitrobenzene

Name: 2-Chloro-6-fluoronitrobenzene
Brand: ChemScene
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CAS No. 64182-61-2
Cat. No. CS-W003306
Purity≥97%
MDL No.MFCD06658264

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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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2-Chloro-6-fluoronitrobenzene|CS-W003306

Structure of 64182-61-2

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General Information

CAS No. 64182-61-2
Cat. No. CS-W003306
Purity ≥97%
MDL No. MFCD06658264
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₆H₃ClFNO₂
Molecular Weight None
Synonym(s) 1-Chloro-3-fluoro-2-nitrobenzene
SMILES O=[N+](C1=C(F)C=CC=C1Cl)[O-]

Description

2-Chloro-6-fluoronitrobenzene is a bifunctional aryl halide featuring electron-withdrawing nitro and fluorine groups that enhance reactivity in cross-coupling processes. This bench-stable compound integrates readily into synthetic sequences requiring selective functionalization, offering high compatibility with palladium catalysis under standard conditions.

Application

2-Chloro-6-fluoronitrobenzene serves as a versatile building block in nucleophilic aromatic substitution (SNAr) reactions, enabling efficient introduction of diverse amines and heterocycles under mild conditions. Its ortho-halogenated structure enhances reactivity while maintaining bench stability and ease of purification. Functions effectively in the synthesis of pharmaceutical intermediates and functionalized heterocycles, particularly where selective substitution at the chloro position is required.

Synthesis

Route1
- 59772-34-8
- ~%
- In-stock
  
  64182-61-2
References
- US4032639 A1, ;
Route2
- In-stock
  
  363-51-9
- ~44%
- In-stock
  
  64182-61-2
References
- Baudy; Fletcher III; Yardley; Zaleska; Bramlett; Tasse; Kowal; Katz; Moyer; Abou-Gharbia Journal of Medicinal Chemistry, 2001 , vol. 44, # 10 p. 1516 - 1529

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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2-Chloro-6-fluoronitrobenzene

CAS No. 64182-61-2

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