2-Bromo-4-fluorobenzonitrile

Name: 2-Bromo-4-fluorobenzonitrile
Brand: ChemScene
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CAS No. 36282-26-5
Cat. No. CS-W010496
Molecule weight200.01
Purity≥98%
MDL No.MFCD00672924

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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 36282-26-5

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General Information

CAS No. 36282-26-5
Cat. No. CS-W010496
Purity ≥98%
MDL No. MFCD00672924
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₃BrFN
Molecular Weight 200.01
Synonym(s) Benzonitrile,2-bromo-4-fluoro-
SMILES C1=CC(=CC(=C1C#N)Br)F

Description

2-Bromo-4-fluorobenzonitrile features a strategically positioned nitrile group flanked by bromo and fluoro substituents, enabling direct functionalization in cross-coupling reactions. This electron-deficient aromatic scaffold delivers high reactivity under standard conditions, integrating readily into complex molecular architectures.

Application

2-Bromo-4-fluorobenzonitrile serves as a versatile building block in medicinal chemistry and agrochemical synthesis, enabling palladium-catalyzed cross-coupling reactions due to its orthogonal halogen reactivity. The nitrile group provides a handle for downstream functionalization, while the bromine site facilitates Suzuki, Stille, or Negishi couplings. Its bench-stable nature and compatibility with diverse reaction conditions make it ideal for constructing complex aromatic scaffolds.

Synthesis

Route1
- In-stock
  
  1006-40-2
- ~95%
- In-stock
  
  36282-26-5
References
- Organic and Biomolecular Chemistry, , vol. 9, # 7 p. 2233 - 2239
Route2
- In-stock
  
  1006-41-3
- ~%
- In-stock
  
  36282-26-5
References
- Organic and Biomolecular Chemistry, , vol. 9, # 7 p. 2233 - 2239

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+H312+H332-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

TPSA 23.79
LogP 2.45988
H_Acceptors 1
H_Donors 0
Rotatable_Bonds 0

Other Classifications

Building Blocks Functional Group Cyanide/Nitrile

Building Blocks Functional Group Bromide

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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2-Bromo-4-fluorobenzonitrile

CAS No. 36282-26-5

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