2-Bromo-4-fluoro-5-nitrophenol

Name: 2-Bromo-4-fluoro-5-nitrophenol
Brand: ChemScene
Availability: InStock
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CAS No. 84478-87-5
Cat. No. CS-W003529
Purity≥97%
MDL No.MFCD08460104

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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-Bromo-4-fluoro-5-nitrophenol|CS-W003529

Structure of 84478-87-5

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General Information

CAS No. 84478-87-5
Cat. No. CS-W003529
Purity ≥97%
MDL No. MFCD08460104
Storage RT, stored under nitrogen
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₆H₃BrFNO₃
Molecular Weight 236.00
Synonym(s) Bromo-4-fluoro-5-nitrotoluene
SMILES [O-][N+](=O)c1cc(O)c(cc1F)Br

Description

2-Bromo-4-fluoro-5-nitrophenol features a trifunctional aromatic core with bromine, fluorine, and nitro groups strategically positioned for cross-coupling and electrophilic functionalization. This electron-deficient phenol integrates readily into complex molecular architectures under standard conditions.

Application

2-Bromo-4-fluoro-5-nitrophenol serves as a versatile building block in medicinal chemistry, enabling efficient access to substituted heterocycles and pharmaceutical intermediates. Its orthogonal functional groups—bromide, fluoride, and nitro—facilitate sequential cross-coupling, nucleophilic substitution, and reduction reactions under standard conditions. The compound exhibits good bench stability and is readily purified by recrystallization, making it well-suited for scalable synthesis workflows.

Synthesis

Route1
- In-stock
  
  496-69-5
- 541-41-3
- ~%
- In-stock
  
  84478-87-5
References
- EP2145889 A1, ; Page/Page column 17 ;
Route2
- In-stock
  
  371-41-5
- ~%
- In-stock
  
  84478-87-5
References
- US6586368 B1, ;

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 2.202
H_Acceptors 3
H_Donors 1
Rotatable_Bonds 1

Other Classifications

Building Blocks Functional Group Fluoride

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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2-Bromo-4-fluoro-5-nitrophenol

CAS No. 84478-87-5

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