2,4-Difluoro-5-nitrophenol

Name: 2,4-Difluoro-5-nitrophenol
Brand: ChemScene
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CAS No. 113512-57-5
Cat. No. CS-0044881
Purity≥95%
MDL No.None

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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 113512-57-5

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General Information

CAS No. 113512-57-5
Cat. No. CS-0044881
Purity ≥95%
MDL No. None
Storage RT, stored under nitrogen
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₆H₃F₂NO₃
Molecular Weight 175.09
Synonym(s) 2,4-Difluoro-5-nitrobenzenol
SMILES OC1=CC([N+]([O-])=O)=C(F)C=C1F

Description

2,4-Difluoro-5-nitrophenol features a fluorinated aromatic scaffold bearing electron-withdrawing nitro and fluoro substituents, enabling enhanced reactivity in cross-coupling and electrophilic substitution reactions. The para-nitro group stabilizes the phenolic form while the ortho-fluorines facilitate directed metalation and palladium-catalyzed functionalization. This bench-stable compound serves as a key building block for advanced pharmaceutical intermediates and agrochemicals.

Application

2,4-Difluoro-5-nitrophenol serves as a versatile building block in medicinal chemistry and agrochemical synthesis, enabling efficient access to fluorinated heterocycles and functionalized aromatic scaffolds. Its dual electron-withdrawing substituents enhance electrophilicity for nucleophilic aromatic substitution, while the phenolic OH facilitates direct coupling or derivatization. The compound exhibits good bench stability and compatibility with standard reaction conditions, supporting scalable transformations in complex molecule assembly.

Synthesis

Route1
- 152169-43-2
- ~84%
- In-stock
  
  113512-57-5
References
- WO2013/36232 A2, ; Paragraph 00224 ;
Route2
- In-stock
  
  367-27-1
- ~%
- In-stock
  
  113512-57-5
References
- Synthesis, , # 12 p. 1446 - 1450

Safety Information

Download SDS

GHS Pictogram :	GHS No : GHS05,GHS07,GHS09
Signal Word : Danger	UN#: 3077
Class : 9	Packing Group : Ⅲ
Hazard Statements : H302-H315-H317-H318-H410
Precautionary Statements : P261-P264-P270-P272-P273-P280-P302+P352-P330-P362+P364-P391-P501

Quality Control

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Computational Chemistry Data

TPSA 63.37
LogP 1.5786
H_Acceptors 3
H_Donors 1
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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2,4-Difluoro-5-nitrophenol

CAS No. 113512-57-5

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