3-Bromo-2-fluorophenylacetonitrile

Name: 3-Bromo-2-fluorophenylacetonitrile
Brand: ChemScene
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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+
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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3-Bromo-2-fluorophenylacetonitrile|CS-W013171

Structure of 874285-03-7

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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.

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

Computational Chemistry Data

TPSA 23.79
LogP 2.65428
H_Acceptors 1
H_Donors 0
Rotatable_Bonds 1

Safety Information

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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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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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