3-Bromo-2-fluorophenylacetonitrile

Name: 3-Bromo-2-fluorophenylacetonitrile
Brand: ChemScene
Availability: InStock
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CAS No. 874285-03-7
Cat. No. CS-W013171
Purity≥95%
MDL No.MFCD09864662

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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+
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3-Bromo-2-fluorophenylacetonitrile|CS-W013171

Structure of 874285-03-7

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General Information

CAS No. 874285-03-7
Cat. No. CS-W013171
Purity ≥95%
MDL No. MFCD09864662
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₅BrFN
Molecular Weight 214.04
Synonym(s) 2-(3-bromo-2-fluorophenyl)acetonitrile
SMILES FC1=C(CC#N)C=CC=C1Br

Description

3-Bromo-2-fluorophenylacetonitrile features a strategically positioned nitrile group flanked by bromo and fluoro substituents on a phenyl ring, enabling direct functionalization in cross-coupling and bioconjugation workflows. The electron-deficient aryl core enhances reactivity in palladium-catalyzed transformations, while the acetonitrile tether provides a robust handle for further derivatization under mild conditions.

Application

3-Bromo-2-fluorophenylacetonitrile serves as a versatile building block for the synthesis of fluorinated aromatic intermediates, enabling palladium-catalyzed cross-coupling reactions with high functional group tolerance. Its acetonitrile moiety facilitates selective transformations, while the ortho-halo substitution pattern supports regioselective derivatization in medicinal chemistry and agrochemical development. The compound exhibits excellent bench stability and is readily purified by distillation or flash chromatography.

Synthesis

Route1
- 786652-60-6
- 151-50-8
- ~%
- In-stock
  
  874285-03-7
References
- WO2009/69044 A1, ; Page/Page column 86 ; WO 2009/069044 A1

Safety Information

Download SDS

GHS Pictogram :	GHS No : GHS06
Signal Word : Danger	UN#: 3439
Class : 6.1	Packing Group : Ⅲ
Hazard Statements : H301-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362-P405-P501

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Computational Chemistry Data

TPSA 23.79
LogP 2.65428
H_Acceptors 1
H_Donors 0
Rotatable_Bonds 1

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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3-Bromo-2-fluorophenylacetonitrile

CAS No. 874285-03-7

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