1-Bromo-3-fluoro-2-nitrobenzene

Name: 1-Bromo-3-fluoro-2-nitrobenzene
Brand: ChemScene
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CAS No. 886762-70-5
Cat. No. CS-W005162
Purity≥98%
MDL No.MFCD07368788

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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-Bromo-3-fluoro-2-nitrobenzene|CS-W005162

Structure of 886762-70-5

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General Information

CAS No. 886762-70-5
Cat. No. CS-W005162
Purity ≥98%
MDL No. MFCD07368788
Storage -20°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₆H₃BrFNO₂
Molecular Weight 220.00
Synonym(s) benzene, 1-bromo-3-fluoro-2-nitro-
SMILES O=[N+](C1=C(F)C=CC=C1Br)[O-]

Description

1-Bromo-3-fluoro-2-nitrobenzene features a trifunctional aromatic core with complementary reactivity. The electron-deficient ring enables efficient coupling under palladium catalysis, while the bromo and nitro groups serve as orthogonal handles for sequential functionalization. This bench-stable compound integrates readily into complex molecular architectures requiring precise substitution patterns.

Application

1-Bromo-3-fluoro-2-nitrobenzene serves as a versatile building block in medicinal chemistry and heterocyclic synthesis, enabling palladium-catalyzed cross-coupling reactions due to its reactive bromo group. The ortho-nitro and meta-fluoro substituents provide orthogonal functional handles for sequential transformations, while the molecule exhibits excellent bench stability and ease of purification, facilitating efficient multi-step synthetic sequences in API development.

Synthesis

Route1
- In-stock
  
  65896-11-9
- ~86%
- In-stock
  
  886762-70-5
References
- Morrison, Matthew D.; Hanthorn, Jason J.; Pratt, Derek A. Organic Letters, 2009 , vol. 11, # 5 p. 1051 - 1054
Route2
- 7632-04-4
- In-stock
  
  65896-11-9
- ~%
- In-stock
  
  886762-70-5
References
- US2007/15744 A1, ; Page/Page column 64-65 ; US 20070015744 A1

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 2.4964
H_Acceptors 2
H_Donors 0
Rotatable_Bonds 1

Other Classifications

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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1-Bromo-3-fluoro-2-nitrobenzene

CAS No. 886762-70-5

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